 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer07_STD_M11_augccpVDZ.in
 Output=10_L-serine_conformer07_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-32263.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32289.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer07_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:53:48 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer07_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.290730000000      0.712663000000      0.358259000000
  C                                                -0.059673000000      0.650207000000     -0.359706000000
  C                                                -0.852428000000     -0.631020000000     -0.023937000000
  O                                                -0.170827000000     -1.783936000000     -0.115771000000
  O                                                 2.106421000000     -0.370921000000     -0.116056000000
  N                                                -0.796184000000      1.869755000000     -0.086038000000
  O                                                -2.012397000000     -0.611288000000      0.285099000000
  H                                                 0.160738000000      0.608893000000     -1.431500000000
  H                                                 1.753555000000      1.672222000000      0.125488000000
  H                                                 1.147859000000      0.642089000000      1.441905000000
  H                                                 0.778104000000     -1.587327000000     -0.255792000000
  H                                                -1.294207000000      1.773751000000      0.793150000000
  H                                                -1.516728000000      1.999402000000     -0.785323000000
  H                                                 2.886618000000     -0.459251000000      0.440467000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530674   0.000000
     3  C    2.558258   1.543614   0.000000
     4  O    2.931529   2.448859   1.342471   0.000000
     5  O    1.436830   2.407079   2.971687   2.680013   0.000000
     6  N    2.427235   1.450738   2.502178   3.706941   3.666967
     7  O    3.559332   2.412524   1.200592   2.219725   4.145282
     8  H    2.119171   1.095002   2.131929   2.750765   2.544820
     9  H    1.090478   2.137223   3.481149   3.963140   2.087413
    10  H    1.095300   2.168871   2.787588   3.170313   2.090998
    11  H    2.435118   2.391491   1.904446   0.979148   1.806542
    12  H    2.827886   2.028670   2.577930   3.839955   4.121959
    13  H    3.293220   2.030883   2.817822   4.071044   4.381045
    14  H    1.981666   3.248354   3.771689   3.378189   0.962407
                    6          7          8          9         10
     6  N    0.000000
     7  O    2.787919   0.000000
     8  H    2.077436   3.026230   0.000000
     9  H    2.566112   4.407073   2.468187   0.000000
    10  H    2.760630   3.591152   3.038415   1.777919   0.000000
    11  H    3.802449   3.005347   2.566479   3.423673   2.826515
    12  H    1.014995   2.542110   2.902211   3.121688   2.768615
    13  H    1.012419   2.864820   2.272653   3.410480   3.728655
    14  H    4.389135   4.903835   3.474998   2.434383   2.288910
                   11         12         13         14
    11  H    0.000000
    12  H    4.085535   0.000000
    13  H    4.290837   1.609972   0.000000
    14  H    2.490615   4.752892   5.190086   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.49D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4231422           2.5009554           1.5382060
 Leave Link  202 at Thu Aug 12 20:53:49 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       326.5886488201 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:53:52 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.06D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:53:53 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:53:53 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer07_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:53:54 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.838565138687    
 DIIS: error= 3.61D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.838565138687     IErMin= 1 ErrMin= 3.61D-03
 ErrMax= 3.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-02 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.61D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 GapD=    0.444 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.34D-03 MaxDP=2.44D-01              OVMax= 2.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.23D-03    CP:  9.50D-01
 E= -398.850473450480     Delta-E=       -0.011908311793 Rises=F Damp=F
 DIIS: error= 9.32D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.850473450480     IErMin= 2 ErrMin= 9.32D-04
 ErrMax= 9.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.98D-04 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.32D-03
 Coeff-Com:  0.269D-01 0.973D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.267D-01 0.973D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.41D-03 MaxDP=7.30D-02 DE=-1.19D-02 OVMax= 7.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.19D-04    CP:  9.45D-01  1.13D+00
 E= -398.850869652318     Delta-E=       -0.000396201838 Rises=F Damp=F
 DIIS: error= 8.73D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.850869652318     IErMin= 3 ErrMin= 8.73D-04
 ErrMax= 8.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-04 BMatP= 7.98D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.73D-03
 Coeff-Com: -0.535D-01 0.498D+00 0.555D+00
 Coeff-En:   0.000D+00 0.246D+00 0.754D+00
 Coeff:     -0.530D-01 0.496D+00 0.557D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.83D-04 MaxDP=8.73D-03 DE=-3.96D-04 OVMax= 3.76D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.80D-04    CP:  9.44D-01  1.15D+00  1.11D+00
 E= -398.851336317093     Delta-E=       -0.000466664775 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.851336317093     IErMin= 4 ErrMin= 1.29D-04
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-05 BMatP= 7.04D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.29D-03
 Coeff-Com: -0.103D-01 0.272D-01 0.953D-01 0.888D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.103D-01 0.271D-01 0.952D-01 0.888D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.20D-04 MaxDP=7.65D-03 DE=-4.67D-04 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.76D-05    CP:  9.43D-01  1.16D+00  1.19D+00  1.12D+00
 E= -398.851349840369     Delta-E=       -0.000013523276 Rises=F Damp=F
 DIIS: error= 7.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.851349840369     IErMin= 5 ErrMin= 7.82D-05
 ErrMax= 7.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-06 BMatP= 1.22D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-02-0.615D-01-0.433D-01 0.436D+00 0.666D+00
 Coeff:      0.323D-02-0.615D-01-0.433D-01 0.436D+00 0.666D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.07D-05 MaxDP=2.21D-03 DE=-1.35D-05 OVMax= 6.71D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  9.42D-01  1.16D+00  1.21D+00  1.18D+00  1.23D+00
 E= -398.851354603546     Delta-E=       -0.000004763177 Rises=F Damp=F
 DIIS: error= 2.54D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.851354603546     IErMin= 6 ErrMin= 2.54D-05
 ErrMax= 2.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-07 BMatP= 5.34D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-02-0.286D-01-0.310D-01 0.820D-01 0.274D+00 0.701D+00
 Coeff:      0.260D-02-0.286D-01-0.310D-01 0.820D-01 0.274D+00 0.701D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.24D-05 MaxDP=5.15D-04 DE=-4.76D-06 OVMax= 2.30D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.39D-06    CP:  9.42D-01  1.16D+00  1.22D+00  1.20D+00  1.32D+00
                    CP:  1.25D+00
 E= -398.851355083118     Delta-E=       -0.000000479573 Rises=F Damp=F
 DIIS: error= 6.29D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.851355083118     IErMin= 7 ErrMin= 6.29D-06
 ErrMax= 6.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-08 BMatP= 4.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-03 0.257D-02-0.618D-03-0.457D-01-0.359D-01 0.144D+00
 Coeff-Com:  0.936D+00
 Coeff:      0.119D-03 0.257D-02-0.618D-03-0.457D-01-0.359D-01 0.144D+00
 Coeff:      0.936D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=3.72D-04 DE=-4.80D-07 OVMax= 1.29D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.22D-06    CP:  9.42D-01  1.16D+00  1.21D+00  1.20D+00  1.37D+00
                    CP:  1.39D+00  1.26D+00
 E= -398.851355142113     Delta-E=       -0.000000058994 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.851355142113     IErMin= 8 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-09 BMatP= 2.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-03 0.243D-02 0.246D-02-0.129D-01-0.242D-01-0.365D-01
 Coeff-Com:  0.123D+00 0.946D+00
 Coeff:     -0.172D-03 0.243D-02 0.246D-02-0.129D-01-0.242D-01-0.365D-01
 Coeff:      0.123D+00 0.946D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.28D-06 MaxDP=8.42D-05 DE=-5.90D-08 OVMax= 4.28D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.88D-07    CP:  9.42D-01  1.16D+00  1.21D+00  1.19D+00  1.38D+00
                    CP:  1.43D+00  1.38D+00  1.31D+00
 E= -398.851355146812     Delta-E=       -0.000000004700 Rises=F Damp=F
 DIIS: error= 8.76D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.851355146812     IErMin= 9 ErrMin= 8.76D-07
 ErrMax= 8.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-10 BMatP= 2.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.720D-04 0.608D-03 0.103D-02-0.635D-04-0.499D-02-0.308D-01
 Coeff-Com: -0.570D-01 0.372D+00 0.719D+00
 Coeff:     -0.720D-04 0.608D-03 0.103D-02-0.635D-04-0.499D-02-0.308D-01
 Coeff:     -0.570D-01 0.372D+00 0.719D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.34D-07 MaxDP=2.80D-05 DE=-4.70D-09 OVMax= 1.45D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.76D-07    CP:  9.42D-01  1.16D+00  1.21D+00  1.19D+00  1.38D+00
                    CP:  1.44D+00  1.41D+00  1.41D+00  1.10D+00
 E= -398.851355147558     Delta-E=       -0.000000000746 Rises=F Damp=F
 DIIS: error= 1.81D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.851355147558     IErMin=10 ErrMin= 1.81D-07
 ErrMax= 1.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-11 BMatP= 5.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.930D-05-0.204D-03-0.126D-03 0.163D-02 0.243D-02-0.970D-03
 Coeff-Com: -0.248D-01-0.583D-01 0.103D+00 0.977D+00
 Coeff:      0.930D-05-0.204D-03-0.126D-03 0.163D-02 0.243D-02-0.970D-03
 Coeff:     -0.248D-01-0.583D-01 0.103D+00 0.977D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.15D-07 MaxDP=9.82D-06 DE=-7.46D-10 OVMax= 6.00D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.05D-07    CP:  9.42D-01  1.16D+00  1.21D+00  1.19D+00  1.38D+00
                    CP:  1.44D+00  1.42D+00  1.43D+00  1.21D+00  1.43D+00
 E= -398.851355147632     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 7.01D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.851355147632     IErMin=11 ErrMin= 7.01D-08
 ErrMax= 7.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-12 BMatP= 3.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.966D-05-0.126D-03-0.142D-03 0.604D-03 0.136D-02 0.243D-02
 Coeff-Com: -0.360D-02-0.559D-01-0.342D-01 0.343D+00 0.747D+00
 Coeff:      0.966D-05-0.126D-03-0.142D-03 0.604D-03 0.136D-02 0.243D-02
 Coeff:     -0.360D-02-0.559D-01-0.342D-01 0.343D+00 0.747D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.61D-08 MaxDP=1.81D-06 DE=-7.34D-11 OVMax= 1.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.99D-08    CP:  9.42D-01  1.16D+00  1.21D+00  1.19D+00  1.38D+00
                    CP:  1.44D+00  1.42D+00  1.43D+00  1.23D+00  1.53D+00
                    CP:  1.17D+00
 E= -398.851355147647     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.26D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.851355147647     IErMin=12 ErrMin= 2.26D-08
 ErrMax= 2.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-13 BMatP= 5.76D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-05-0.106D-04-0.284D-04-0.487D-04 0.725D-04 0.829D-03
 Coeff-Com:  0.219D-02-0.697D-02-0.229D-01-0.335D-01 0.221D+00 0.839D+00
 Coeff:      0.179D-05-0.106D-04-0.284D-04-0.487D-04 0.725D-04 0.829D-03
 Coeff:      0.219D-02-0.697D-02-0.229D-01-0.335D-01 0.221D+00 0.839D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.42D-08 MaxDP=1.38D-06 DE=-1.57D-11 OVMax= 5.73D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.28D-09    CP:  9.42D-01  1.16D+00  1.21D+00  1.19D+00  1.38D+00
                    CP:  1.44D+00  1.42D+00  1.43D+00  1.24D+00  1.57D+00
                    CP:  1.27D+00  1.22D+00
 E= -398.851355147646     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 9.99D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -398.851355147647     IErMin=13 ErrMin= 9.99D-09
 ErrMax= 9.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-14 BMatP= 6.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.640D-06 0.119D-04 0.766D-05-0.893D-04-0.141D-03-0.383D-05
 Coeff-Com:  0.117D-02 0.422D-02-0.426D-02-0.527D-01-0.761D-02 0.286D+00
 Coeff-Com:  0.773D+00
 Coeff:     -0.640D-06 0.119D-04 0.766D-05-0.893D-04-0.141D-03-0.383D-05
 Coeff:      0.117D-02 0.422D-02-0.426D-02-0.527D-01-0.761D-02 0.286D+00
 Coeff:      0.773D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.49D-09 MaxDP=4.65D-07 DE= 1.59D-12 OVMax= 1.97D-07

 SCF Done:  E(RM11) =  -398.851355148     A.U. after   13 cycles
            NFock= 13  Conv=0.75D-08     -V/T= 2.0070
 KE= 3.960847323062D+02 PE=-1.587775511022D+03 EE= 4.662507747477D+02
 Leave Link  502 at Thu Aug 12 20:55:54 2021, MaxMem=  5368709120 cpu:             959.6 elap:             120.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48625457D+02

 Leave Link  801 at Thu Aug 12 20:55:55 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.52D-01 5.67D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.31D-02 3.89D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.77D-03 9.65D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 7.47D-05 1.38D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 2.73D-06 2.49D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 8.03D-08 3.44D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 2.15D-09 5.64D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 4.88D-11 8.91D-07.
     11 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 8.95D-13 1.53D-07.
      3 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.39D-14 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.683778D+02
      2 -0.192979D+01  0.628076D+02
      3 -0.109642D+01  0.592465D+00  0.487245D+02
 Isotropic polarizability for W=    0.088559       59.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.145326D+00 -0.242934D+02  0.913468D+01
      2   0.221721D+01  0.394166D+02 -0.811214D+01
      3  -0.236253D+01 -0.151231D+02 -0.102254D+01
      4   0.162721D+02  0.266938D+01  0.744253D+01
      5   0.123539D+02  0.389632D+01  0.754282D+01
      6   0.688932D+01 -0.169417D+01  0.315420D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.364723D+01 -0.173131D+01 -0.174539D+02
      2   0.488979D+01  0.124638D+01  0.374207D+01
      3   0.106051D+02  0.267739D-01  0.162063D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.354621D+01  0.641797D+01 -0.466651D+02
      2  -0.321920D+01  0.553203D+00  0.990535D+01
      3   0.405655D+02 -0.452174D+00  0.299300D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.546956D+00 -0.389774D+00  0.949743D+00
      2  -0.389774D+00 -0.874999D+00  0.239437D+00
      3   0.949743D+00  0.239437D+00 -0.452173D+00
 OR G Eigenvalues:    -1.3711    -0.5523     1.1432  Iso=     0.2601
 Eigenvectors:
   (1)   0.439988   0.646528  -0.623228
   (2)  -0.254129   0.755290   0.604116
   (3)   0.861295  -0.107424   0.496620
 w=    0.088559 a.u., Optical Rotation Beta=      0.2601 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      125.49 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.72D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.59D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.80D-02 3.49D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 2.17D-03 8.79D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 3.54D-05 7.47D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 3.76D-07 5.65D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 5.28D-09 6.56D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 6.06D-11 7.28D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 4.46D-13 6.21D-08.
      2 vectors produced by pass  8 Test12= 1.52D-14 2.78D-09 XBig12= 2.61D-15 4.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 3.42D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 3.42D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683778D+02 -0.192979D+01 -0.109642D+01
      2  -0.192979D+01  0.628076D+02  0.592465D+00
      3  -0.109642D+01  0.592465D+00  0.487245D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.364723D+01 -0.173131D+01 -0.174539D+02
      2   0.488979D+01  0.124638D+01  0.374207D+01
      3   0.106051D+02  0.267739D-01  0.162063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.145326D+00 -0.242934D+02  0.913468D+01
      2   0.221721D+01  0.394166D+02 -0.811214D+01
      3  -0.236253D+01 -0.151231D+02 -0.102254D+01
      4   0.162721D+02  0.266938D+01  0.744253D+01
      5   0.123539D+02  0.389632D+01  0.754282D+01
      6   0.688932D+01 -0.169417D+01  0.315420D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.307856D+01  0.831112D+00  0.186047D+01  0.353233D+00 -0.471484D+01
      2   0.831112D+00 -0.269291D+01  0.264281D+00 -0.471484D+01 -0.391729D+01
      3   0.186047D+01  0.264281D+00  0.183249D+01  0.780837D-02  0.125374D+01
                 6             7             8             9            10 
      1   0.780837D-02  0.270028D+01  0.119138D+00  0.100274D+01 -0.436321D+01
      2   0.125374D+01  0.119138D+00  0.208075D+01 -0.213835D+00  0.206067D+00
      3  -0.107563D+00  0.100274D+01 -0.213835D+00 -0.739336D+01 -0.115549D+01
                11            12            13            14            15 
      1   0.206067D+00 -0.115549D+01 -0.123757D+01  0.349507D+01  0.202101D+00
      2   0.395639D+01  0.239007D-01  0.349507D+01  0.422767D+01 -0.271233D+00
      3   0.239007D-01 -0.196312D+01  0.202101D+00 -0.271233D+00  0.536632D+00
                16            17            18            19            20 
      1  -0.147280D+01 -0.168401D-01 -0.205192D+01  0.714466D+01 -0.605093D-01
      2  -0.168401D-01 -0.130210D+01  0.203427D-01 -0.605093D-01 -0.202030D+01
      3  -0.205192D+01  0.203427D-01  0.687704D+01 -0.131990D+01 -0.340978D+00
                21            22            23            24            25 
      1  -0.131990D+01  0.933995D-01 -0.289110D+01 -0.294137D+00 -0.174621D+01
      2  -0.340978D+00 -0.289110D+01 -0.266608D+01  0.292721D+00 -0.257057D+00
      3   0.749874D+00 -0.294137D+00  0.292721D+00 -0.768963D+00  0.783881D+00
                26            27            28            29            30 
      1  -0.257057D+00  0.783881D+00 -0.406454D+01 -0.297427D+01  0.253058D+00
      2   0.666950D+00 -0.464696D+00 -0.297427D+01 -0.307748D+00 -0.119731D+00
      3  -0.464696D+00 -0.113752D+01  0.253058D+00 -0.119731D+00  0.111420D+00
                31            32            33            34            35 
      1  -0.153492D+01  0.165881D+01 -0.687936D-01  0.760728D+00  0.354239D-01
      2   0.165881D+01 -0.797845D+01 -0.478683D+00  0.354239D-01  0.113446D+00
      3  -0.687936D-01 -0.478683D+00 -0.970845D+00  0.597403D+00 -0.191025D+01
                36            37            38            39            40 
      1   0.597403D+00 -0.200475D+01 -0.128373D+01 -0.272387D+01 -0.180380D+01
      2  -0.191025D+01 -0.128373D+01  0.261289D-01  0.415787D+00  0.220659D+01
      3  -0.314347D+00 -0.272387D+01  0.415787D+00 -0.108598D+01  0.363460D+00
                41            42            43            44            45 
      1   0.220659D+01  0.363460D+00 -0.512431D+01  0.127021D+01 -0.274953D+00
      2  -0.240327D+01 -0.102118D+01  0.127021D+01 -0.159833D+01 -0.726248D+00
      3  -0.102118D+01  0.694478D-01 -0.274953D+00 -0.726248D+00 -0.154468D+01
                46            47            48            49            50 
      1   0.328786D+01 -0.330127D+00  0.100439D+01  0.541141D+00 -0.214322D+01
      2  -0.330127D+00 -0.895665D+00 -0.316600D+00 -0.214322D+01  0.488992D+01
      3   0.100439D+01 -0.316600D+00  0.372057D+01 -0.615270D+00  0.161917D+00
                51            52            53            54            55 
      1  -0.615270D+00  0.148350D+01 -0.678507D+00  0.358614D+01 -0.141384D+02
      2   0.161917D+00 -0.678507D+00 -0.159070D-01  0.977335D+00 -0.642398D+00
      3   0.567078D+00  0.358614D+01  0.977335D+00 -0.177680D+01  0.174866D+01
                56            57            58            59            60 
      1  -0.642398D+00  0.174866D+01 -0.104482D+01 -0.243618D+01  0.258326D+00
      2  -0.287586D+01  0.162088D+00 -0.243618D+01 -0.498631D-01  0.552620D+00
      3   0.162088D+00 -0.228289D+01  0.258326D+00  0.552620D+00  0.252959D+00
                61            62            63            64            65 
      1   0.231193D+01  0.281688D+00 -0.350004D+01  0.175699D+01  0.219745D+00
      2   0.281688D+00  0.802637D+00 -0.229318D+00  0.219745D+00 -0.285946D+00
      3  -0.350004D+01 -0.229318D+00  0.209534D+01 -0.108392D+01 -0.989371D-02
                66            67            68            69            70 
      1  -0.108392D+01  0.893927D-01 -0.326941D+00 -0.202903D-01 -0.161283D+01
      2  -0.989371D-02 -0.326941D+00  0.520428D-01 -0.122679D+01  0.739663D-02
      3   0.146178D+01 -0.202903D-01 -0.122679D+01 -0.290050D-01  0.120605D+01
                71            72            73            74            75 
      1   0.739663D-02  0.120605D+01  0.244993D+01  0.218409D+01 -0.540952D+00
      2  -0.157634D+01  0.342139D+00  0.218409D+01  0.256212D+01 -0.160342D+00
      3   0.342139D+00 -0.858941D+01 -0.540952D+00 -0.160342D+00  0.437703D+00
                76            77            78            79            80 
      1   0.302775D+01  0.310497D+01 -0.692286D-01 -0.114405D+01 -0.428284D+00
      2   0.310497D+01  0.726067D+01 -0.551950D+00 -0.428284D+00 -0.137183D+01
      3  -0.692286D-01 -0.551950D+00  0.971116D+00  0.574643D+00  0.118355D+01
                81            82            83            84            85 
      1   0.574643D+00 -0.652648D+00  0.149664D+00  0.959955D+00 -0.231225D+00
      2   0.118355D+01  0.149664D+00  0.203772D+00 -0.195590D+00  0.448994D+00
      3   0.269957D+00  0.959955D+00 -0.195590D+00 -0.110507D+01 -0.651658D-01
                86            87            88            89            90 
      1   0.448994D+00 -0.651658D-01  0.162343D+01 -0.230421D+00  0.421788D+00
      2   0.399423D+00  0.107909D+01 -0.230421D+00  0.120201D+01  0.565484D+00
      3   0.107909D+01 -0.261187D+00  0.421788D+00  0.565484D+00  0.888707D+01
                91            92            93            94            95 
      1   0.636343D+01  0.806078D+00 -0.183725D+00  0.103398D+01  0.112588D+01
      2   0.806078D+00  0.253098D+01  0.228026D+00  0.112588D+01 -0.655784D+00
      3  -0.183725D+00  0.228026D+00  0.627336D+00  0.130473D+00 -0.496919D-01
                96            97            98            99           100 
      1   0.130473D+00 -0.702833D+00  0.145509D+00  0.382717D+00 -0.207212D+01
      2  -0.496919D-01  0.145509D+00 -0.263059D+00 -0.534145D+00  0.750953D+00
      3  -0.506497D+00  0.382717D+00 -0.534145D+00 -0.402293D+00  0.143685D+01
               101           102           103           104           105 
      1   0.750953D+00  0.143685D+01  0.399830D+00  0.528538D-02 -0.116956D+00
      2  -0.571969D+00 -0.402181D+00  0.528538D-02  0.479033D+00  0.183246D+00
      3  -0.402181D+00 -0.201416D+01 -0.116956D+00  0.183246D+00 -0.186868D+00
               106           107           108           109           110 
      1   0.232179D+01 -0.426355D+00 -0.226156D+01 -0.449021D+01  0.180106D+01
      2  -0.426355D+00  0.157354D+01  0.536562D+00  0.180106D+01 -0.103989D+01
      3  -0.226156D+01  0.536562D+00  0.441920D+01 -0.216503D+01  0.795046D+00
               111           112           113           114           115 
      1  -0.216503D+01  0.152676D+01 -0.531441D+00  0.631781D+00 -0.329417D+01
      2   0.795046D+00 -0.531441D+00  0.124884D+01 -0.311949D+00  0.101476D+01
      3  -0.215094D+01  0.631781D+00 -0.311949D+00  0.668301D+00 -0.250570D+01
               116           117           118           119           120 
      1   0.101476D+01 -0.250570D+01  0.770448D+01 -0.165774D+01  0.190950D+01
      2  -0.125450D+01  0.890310D+00 -0.165774D+01  0.141090D+01 -0.343812D+00
      3   0.890310D+00 -0.274626D+01  0.190950D+01 -0.343812D+00  0.166099D+01
               121           122           123           124           125 
      1  -0.121316D+01  0.998133D+00 -0.344108D+00  0.389555D+01 -0.836661D+00
      2   0.998133D+00 -0.886865D+00  0.388143D+00 -0.836661D+00  0.942756D+00
      3  -0.344108D+00  0.388143D+00 -0.234606D+00  0.203881D+01 -0.437228D+00
               126 
      1   0.203881D+01
      2  -0.437228D+00
      3   0.135607D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274199D+01 -0.286331D+01 -0.308529D+01 -0.343065D+01 -0.313672D+01
      2   0.431143D+01  0.357518D+00  0.306962D+01 -0.890036D+00  0.346741D+01
      3   0.353397D+01  0.485912D+01  0.129227D+01  0.784700D+01 -0.239423D+01
                 6             7             8             9            10 
      1  -0.202512D+00 -0.149251D+01  0.275120D+01  0.804904D+01  0.242026D+01
      2   0.832763D+00 -0.240360D+01 -0.441446D+00 -0.843217D+01 -0.145119D+01
      3  -0.111806D+01  0.269573D+01 -0.228876D+01  0.162519D+01 -0.997482D+00
                11            12            13            14            15 
      1  -0.158853D+01 -0.177912D+00 -0.212450D+01 -0.210450D+01 -0.292824D+01
      2  -0.726679D-01  0.132048D+01  0.198393D+00  0.667416D+00  0.171416D+01
      3  -0.374542D+01 -0.104004D+01  0.176126D+01  0.219312D+01  0.913931D+00
                16            17            18            19            20 
      1   0.173276D+01  0.433684D+01 -0.286721D+01 -0.125268D+01  0.750669D+01
      2  -0.462305D+01 -0.318246D+00  0.141950D-01 -0.272574D+01 -0.185036D+01
      3  -0.190638D+01  0.226786D+00 -0.163817D+01 -0.543889D+01  0.302828D+00
                21            22            23            24            25 
      1   0.515828D+00  0.303001D+01  0.443288D+01  0.541020D+01  0.317040D+01
      2  -0.848331D+01 -0.156308D+01 -0.804755D+00  0.221213D+00 -0.112537D+02
      3   0.125436D+01  0.313899D+01 -0.149030D+00 -0.205492D+01  0.170701D+01
                26            27            28            29            30 
      1   0.175589D+02 -0.157290D+01  0.728005D+00 -0.158056D+01 -0.248363D+00
      2  -0.388434D+01  0.498937D+01 -0.180054D+01 -0.309041D+00  0.346360D+01
      3  -0.524481D+01 -0.643838D+00  0.139999D+02  0.300544D+01 -0.537337D+00
                31            32            33            34            35 
      1   0.590816D+00  0.871961D+00 -0.749456D+01 -0.653609D+00 -0.426136D+01
      2  -0.567493D+00  0.115911D+00 -0.174838D+01 -0.202362D+01  0.227580D+01
      3   0.119108D+02 -0.132417D+01 -0.163145D+00 -0.248914D+01  0.914341D+00
                36            37            38            39            40 
      1   0.329970D+00 -0.237055D+01  0.443387D+00  0.131230D+01  0.113714D+01
      2  -0.476583D+00 -0.789771D+01  0.257916D+01  0.116908D+01  0.204059D+01
      3  -0.157011D+01  0.559129D+01 -0.755316D+01 -0.184415D+00  0.505996D+00
                41            42            43            44            45 
      1  -0.895610D+00 -0.446464D+01 -0.135421D+01  0.325446D+01 -0.217517D+01
      2  -0.296659D+01 -0.116167D+01 -0.568681D+01 -0.389760D+00 -0.554624D+01
      3   0.782527D+01  0.227275D+01 -0.295883D+00  0.501983D+01  0.191130D+01
                46            47            48            49            50 
      1  -0.244906D+01  0.145292D+01 -0.815408D+01  0.245565D+01 -0.179420D+01
      2  -0.148579D+01  0.160965D+01 -0.721334D-01  0.935501D+00 -0.109010D+01
      3   0.892414D+01 -0.593155D+01  0.136237D+01  0.509656D+01 -0.970360D+00
                51            52            53            54            55 
      1  -0.604104D+01 -0.976018D+01  0.197235D+01  0.306887D+01  0.227836D+01
      2  -0.810777D+00 -0.682548D+01  0.187266D+01  0.946368D+00 -0.732282D+00
      3  -0.127952D+01  0.216738D+01 -0.196804D+01  0.100502D+02  0.969724D+01
                56            57            58            59            60 
      1  -0.326279D+01 -0.210716D+01 -0.860864D+00 -0.150017D+00 -0.382505D+01
      2   0.173678D-01  0.119636D+02  0.883021D+00 -0.572411D+00  0.148326D+01
      3  -0.125455D+02 -0.110926D+01 -0.439525D-01  0.139916D+01  0.101767D+01
                61            62            63            64            65 
      1  -0.414597D+01 -0.907207D+00  0.226784D+01  0.592344D+00 -0.191137D+00
      2   0.128429D+01  0.184760D+01 -0.411301D+01  0.135401D+01  0.222215D+00
      3  -0.852500D+00  0.397045D+01  0.285300D+01  0.122620D+01 -0.716544D+00
                66            67            68            69            70 
      1  -0.789647D+00  0.223099D+00  0.793135D+00  0.500482D-01 -0.120209D+01
      2   0.647436D+00 -0.261924D+00 -0.104304D+00 -0.649841D-01 -0.274285D+01
      3  -0.621631D+00  0.133915D+01 -0.254588D+00 -0.268753D+00 -0.731998D+00
                71            72            73            74            75 
      1   0.248664D+01  0.529405D+01  0.160538D+01  0.139659D+01 -0.122092D+01
      2   0.399923D+00 -0.361500D-01 -0.107016D+01 -0.107958D+01  0.177322D+01
      3   0.621020D+00  0.350211D+00  0.263533D+00 -0.223179D+01 -0.362465D+00
                76            77            78            79            80 
      1   0.108736D+01  0.317596D+01 -0.355136D+01 -0.513102D+00 -0.103178D+01
      2  -0.658802D+00 -0.147519D+01  0.217689D+01  0.443850D-01  0.152800D+01
      3   0.248941D+01 -0.780489D+01  0.829589D+00 -0.150265D+01  0.161082D+01
                81            82            83            84            85 
      1   0.239993D+00 -0.811953D+00 -0.202000D+00  0.813647D+00  0.216325D+00
      2  -0.910919D-01  0.215361D+01 -0.441791D+00 -0.905456D+00  0.237098D+00
      3  -0.921550D+00 -0.129522D+01 -0.773664D+00  0.958006D+00  0.305394D+00
                86            87            88            89            90 
      1  -0.857054D+00  0.416264D+00 -0.479823D+00  0.321516D+01 -0.826356D+01
      2   0.128324D+01 -0.219923D+00 -0.387406D+01  0.122248D+01  0.115136D+02
      3   0.244323D+00 -0.125946D+01  0.162364D+01 -0.163932D+01 -0.904983D+00
                91            92            93            94            95 
      1  -0.959224D+00 -0.231292D+00  0.207684D+01  0.489637D-01 -0.718480D-01
      2   0.282537D+01  0.909520D+00 -0.851310D+00  0.814672D+00  0.376291D+00
      3  -0.206413D+02 -0.313748D+01  0.308667D+00 -0.381709D+01 -0.956704D+00
                96            97            98            99           100 
      1   0.245476D+00  0.143269D+01  0.891281D+00 -0.416774D+00 -0.336077D+01
      2  -0.103623D+01 -0.233357D+01 -0.252985D+00 -0.235085D+00 -0.781261D+00
      3  -0.334675D+00  0.159176D+01 -0.418034D+00 -0.432597D+00 -0.417671D+01
               101           102           103           104           105 
      1   0.206770D+00  0.499328D+01  0.196078D+00 -0.106146D+01  0.684348D-01
      2   0.726198D+00  0.290787D+01  0.643848D+00  0.295688D+00  0.501344D-01
      3  -0.377063D+00  0.315705D+01  0.689224D+00 -0.372322D+00 -0.928406D-01
               106           107           108           109           110 
      1   0.577705D+01  0.800908D+00 -0.989187D+01  0.447292D+01 -0.998507D+00
      2   0.663398D+00 -0.841107D+00 -0.441100D+01  0.872937D+00 -0.940193D+00
      3   0.543085D+01  0.917299D+00 -0.535020D+01 -0.881032D+01  0.945510D+00
               111           112           113           114           115 
      1   0.502963D+01 -0.166442D+01  0.374395D+00 -0.144865D+01  0.534936D+01
      2   0.297454D+01 -0.638710D+00 -0.572335D-01 -0.700976D+00  0.858810D+00
      3  -0.427041D+01  0.326231D+01 -0.213062D+00  0.147947D+01 -0.682276D+01
               116           117           118           119           120 
      1  -0.102653D+00  0.554786D+01  0.184895D+01 -0.882351D-01  0.104185D+01
      2  -0.834577D+00  0.252301D+01  0.587833D+01 -0.143344D+01  0.538904D+01
      3   0.549946D+00 -0.515455D+01 -0.911313D+00 -0.350706D+01 -0.501388D+00
               121           122           123           124           125 
      1  -0.356033D+00  0.128536D+00 -0.600592D+00  0.117418D+01  0.441627D+00
      2  -0.117307D+01  0.864625D+00 -0.735487D+00  0.472408D+01 -0.121881D+01
      3  -0.293225D+00  0.181228D+01 -0.492065D+00 -0.615061D+00 -0.227152D+01
               126 
      1   0.684091D+00
      2   0.390479D+01
      3  -0.173852D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.390296D+00  0.853830D+00  0.152143D+01  0.975433D+01 -0.481718D+01
      2  -0.374686D+01 -0.201305D+01 -0.377107D+01 -0.134152D+02 -0.111875D+02
      3   0.413716D+01  0.115922D+01  0.224964D+01  0.366091D+01  0.160047D+02
      4   0.453084D+01 -0.109850D+02  0.460550D+01 -0.178282D+02 -0.198371D+02
      5   0.823938D+01  0.727149D+00  0.244932D+01 -0.251643D+01  0.316146D+01
      6   0.411868D+01  0.127636D+01  0.544931D+01  0.317700D+00  0.737169D-01
                 6             7             8             9            10 
      1  -0.823337D+00  0.614789D+01 -0.516096D+00  0.132115D+02 -0.505758D+01
      2   0.396889D+01 -0.232362D+01  0.311472D+01  0.702568D+01  0.614519D+01
      3  -0.314555D+01 -0.382427D+01 -0.259863D+01 -0.202371D+02 -0.108761D+01
      4   0.368982D+01  0.255362D+01  0.590943D+01  0.469123D+00 -0.315274D+00
      5   0.256044D+01  0.245321D+01  0.499394D+00 -0.140482D+02 -0.312097D+01
      6  -0.160167D+01  0.264628D+01  0.926764D+00 -0.916918D+01 -0.328131D+01
                11            12            13            14            15 
      1  -0.736191D+01 -0.373606D+01  0.423817D+00  0.798483D+00  0.934822D+00
      2   0.127423D+02  0.931001D+00  0.333351D+01 -0.116659D+01  0.394995D+00
      3  -0.538042D+01  0.280506D+01 -0.375732D+01  0.368104D+00 -0.132982D+01
      4  -0.191861D+01 -0.286578D+01 -0.164847D+01  0.432258D+01  0.861200D-01
      5  -0.528744D+00 -0.223870D+01  0.703265D+00  0.769243D+00  0.277379D+01
      6  -0.493036D+00 -0.173586D+00  0.333136D+00  0.142323D+01 -0.257988D+00
                16            17            18            19            20 
      1  -0.543010D+01  0.103373D+01  0.904067D+01 -0.316431D+02 -0.591035D+01
      2  -0.742817D+00 -0.488088D+01  0.837802D+01  0.178176D+02  0.520937D+01
      3   0.617292D+01  0.384715D+01 -0.174187D+02  0.138255D+02  0.700976D+00
      4  -0.387802D+01 -0.109035D+01 -0.395107D+01 -0.113165D+02 -0.114953D+02
      5  -0.761466D+00 -0.143256D+01  0.524190D+01  0.590488D+01 -0.477144D-01
      6  -0.455337D+01  0.695172D-01  0.761243D+01  0.254129D+01  0.188765D+01
                21            22            23            24            25 
      1   0.536163D+00 -0.967082D+00  0.862034D+01  0.351218D+00  0.827543D+01
      2  -0.480482D+01  0.188753D+01 -0.136488D+02 -0.158701D+01 -0.558050D+01
      3   0.426865D+01 -0.920447D+00  0.502841D+01  0.123579D+01 -0.269492D+01
      4   0.219003D+01 -0.253267D+01  0.712317D+01 -0.121489D+01  0.443927D+01
      5  -0.128863D+02 -0.631441D+00 -0.130667D+01  0.185112D+01  0.147123D+01
      6   0.810553D+00 -0.121715D+01 -0.300629D+01 -0.666103D+01 -0.139124D+01
                26            27            28            29            30 
      1  -0.136545D+01 -0.717741D+01 -0.244756D+01 -0.148731D+01 -0.847772D+00
      2   0.385421D+00 -0.363213D+01  0.728117D+01  0.312528D+00  0.844176D+00
      3   0.980032D+00  0.108095D+02 -0.483361D+01  0.117478D+01  0.359591D-02
      4   0.431457D+01 -0.662608D+00  0.490817D+01  0.157661D+02 -0.589334D+00
      5  -0.104976D+01  0.707730D+01 -0.342739D+00  0.183554D+00  0.614680D+01
      6   0.145512D+01  0.166733D+01 -0.146369D+01 -0.291676D+00 -0.126846D+01
                31            32            33            34            35 
      1  -0.105066D+01 -0.268349D+02 -0.182477D+01  0.793373D-01  0.216408D+00
      2  -0.178019D+01  0.398956D+02  0.154849D+01  0.607133D+00  0.981585D-01
      3   0.283085D+01 -0.130606D+02  0.276286D+00 -0.686470D+00 -0.314566D+00
      4   0.108415D+02 -0.438095D+00  0.116145D+01 -0.153663D+01 -0.644855D+00
      5   0.495374D+00  0.137904D+01 -0.187178D+01  0.346974D+01  0.128226D+01
      6   0.823568D+00  0.427174D+01  0.144082D+02 -0.251378D+01  0.132573D+02
                36            37            38            39            40 
      1  -0.880117D+01 -0.228255D+01 -0.787981D+00 -0.124313D+02 -0.792449D+01
      2   0.514896D+01  0.450328D+00 -0.198712D+01  0.879245D+01  0.541499D+01
      3   0.365221D+01  0.183223D+01  0.277510D+01  0.363881D+01  0.250949D+01
      4   0.321684D+00 -0.120534D+01  0.628265D+01  0.266699D+01  0.110392D+02
      5   0.210635D+00 -0.169377D+02  0.324595D+01  0.245977D+01  0.325515D+01
      6   0.160572D+01  0.224338D+01 -0.106546D+01 -0.156684D+01 -0.110501D+01
                41            42            43            44            45 
      1   0.713812D+00  0.677805D+00 -0.245367D+02  0.467329D+01 -0.537030D+01
      2   0.724822D+01 -0.153928D+01  0.149719D+02 -0.134298D+01 -0.209154D+01
      3  -0.796203D+01  0.861480D+00  0.956480D+01 -0.333031D+01  0.746184D+01
      4  -0.739070D+01 -0.426600D+01  0.645861D+01 -0.572296D+01 -0.159249D+01
      5  -0.496895D+01 -0.266262D+01  0.187576D+01 -0.333458D+01 -0.110571D+02
      6   0.867299D+00  0.601743D+01  0.839509D+00  0.362393D+01  0.278896D+01
                46            47            48            49            50 
      1  -0.251073D+01  0.738831D+01 -0.861415D+00  0.322084D+01 -0.137650D+02
      2   0.436920D+01 -0.114682D+02 -0.158796D+01 -0.720053D+01  0.280800D+02
      3  -0.185847D+01  0.407992D+01  0.244937D+01  0.397968D+01 -0.143151D+02
      4   0.125846D+02  0.452246D+01  0.377758D+01  0.974802D+01 -0.152346D+02
      5  -0.393185D+01  0.256604D+01 -0.700032D+01  0.140096D+01 -0.854330D+00
      6   0.473942D+01 -0.216645D+01  0.133785D+02 -0.288524D+01 -0.297287D+00
                51            52            53            54            55 
      1   0.115998D+01  0.300045D+00  0.117260D+01 -0.126535D+02  0.667543D+02
      2   0.607149D+00 -0.255497D+01  0.668635D+00  0.102093D+02 -0.400207D+02
      3  -0.176713D+01  0.225492D+01 -0.184124D+01  0.244419D+01 -0.267336D+02
      4  -0.266756D+01  0.484690D+01 -0.258599D+01  0.123145D+02  0.218875D+02
      5  -0.231970D+01 -0.688742D+01  0.241165D+01  0.188794D+01 -0.882482D+01
      6   0.762680D+01  0.155015D+02  0.964839D+01 -0.451458D+01 -0.233481D+01
                56            57            58            59            60 
      1   0.267798D+01 -0.426249D+01  0.220124D+01  0.425646D+01  0.481113D+00
      2   0.219533D+01  0.607561D+01  0.132460D+01  0.242852D+01 -0.143713D+00
      3  -0.487330D+01 -0.181312D+01 -0.352584D+01 -0.668498D+01 -0.337400D+00
      4   0.180416D+02 -0.208164D+01  0.170619D+02  0.631188D+01 -0.229078D+01
      5  -0.547122D+00  0.204889D+02 -0.228913D+00 -0.199299D+01  0.149829D+01
      6  -0.455381D+00  0.378586D+01 -0.149384D+01 -0.989892D+00  0.576956D+01
                61            62            63            64            65 
      1  -0.655528D+01  0.923545D+00  0.813070D+01  0.292298D-01  0.546013D+00
      2   0.688238D+01 -0.559951D+00 -0.105678D+02 -0.427572D+01 -0.501799D+00
      3  -0.327101D+00 -0.363595D+00  0.243713D+01  0.424649D+01 -0.442147D-01
      4  -0.253852D+01 -0.348517D+01  0.534418D+01  0.147869D+01  0.202461D+01
      5   0.196653D+02  0.215262D+01 -0.104084D+02 -0.178102D+01  0.237256D-01
      6   0.643915D+01  0.573488D+01 -0.379332D+01 -0.118597D+01 -0.951780D+00
                66            67            68            69            70 
      1   0.143881D+01 -0.310169D-01 -0.332548D+01  0.702274D+00  0.177611D+01
      2   0.188512D+01  0.661131D+00  0.625600D+00 -0.246339D+01  0.303807D+01
      3  -0.332393D+01 -0.630114D+00  0.269988D+01  0.176112D+01 -0.481417D+01
      4  -0.108098D+01  0.224407D+01  0.649027D+00 -0.337732D+00 -0.122313D+01
      5   0.717434D+01  0.146609D+00 -0.117710D+01 -0.211247D+00  0.489643D+01
      6   0.154178D+01 -0.107155D+01 -0.167728D+01  0.582678D+01  0.194616D+01
                71            72            73            74            75 
      1   0.228820D+01 -0.177701D+02  0.774058D+01  0.439245D+01 -0.142047D+01
      2  -0.135394D+01 -0.157195D+02  0.158668D+01  0.366246D+01  0.309130D-01
      3  -0.934255D+00  0.334897D+02 -0.932726D+01 -0.805491D+01  0.138956D+01
      4   0.780001D+00  0.135484D+01  0.142744D+02  0.165081D+02 -0.160717D+01
      5   0.471357D+00 -0.486556D+01 -0.807827D+00 -0.526908D-01  0.274022D+01
      6   0.508792D+01 -0.105300D+02 -0.561373D+00  0.271421D+00  0.168757D+01
                76            77            78            79            80 
      1   0.415982D+01 -0.569473D+01  0.379954D+00 -0.267756D+01  0.450170D+00
      2   0.579056D+01  0.236307D+02 -0.243487D+01  0.245631D+00 -0.331265D+01
      3  -0.995038D+01 -0.179359D+02  0.205492D+01  0.243193D+01  0.286249D+01
      4   0.189043D+02  0.313629D+02 -0.218213D+01 -0.352528D+01 -0.525454D+01
      5   0.570189D+00 -0.789412D+00  0.361026D+01  0.330038D+01  0.442550D+01
      6   0.811514D+00  0.716164D+00  0.466528D+01  0.242583D+01  0.545604D+01
                81            82            83            84            85 
      1  -0.250132D+01 -0.186156D+01  0.614061D+00  0.478186D+01 -0.157202D+01
      2   0.120854D+01 -0.121749D+01  0.566305D+00 -0.115184D+01  0.201596D+01
      3   0.129278D+01  0.307905D+01 -0.118037D+01 -0.363003D+01 -0.443941D+00
      4   0.511233D+01 -0.942016D-01  0.272424D+01  0.722495D+00  0.279497D+01
      5  -0.307077D+00  0.129068D+01 -0.273698D-02  0.366363D+01 -0.242748D+00
      6  -0.739934D+00  0.898390D+00 -0.103798D+01 -0.193475D+01  0.222242D+00
                86            87            88            89            90 
      1  -0.239477D+01 -0.100101D+01  0.452997D+01 -0.304531D+01 -0.192232D+02
      2   0.667932D+00  0.215194D+01 -0.325955D+01  0.179737D+01 -0.148481D+02
      3   0.172683D+01 -0.115093D+01 -0.127042D+01  0.124795D+01  0.340713D+02
      4   0.213807D+01  0.222592D+01  0.149587D+01  0.251582D+01  0.233797D+01
      5   0.209663D+01 -0.108433D+01  0.594381D+01  0.139847D+01  0.200141D+02
      6   0.134360D+01  0.524346D+01  0.330390D+00  0.538312D+01  0.117218D+02
                91            92            93            94            95 
      1   0.393912D+01  0.906582D+01  0.148471D+01  0.221860D+01  0.126048D+01
      2  -0.389872D+01 -0.107770D+02 -0.665570D+00 -0.396598D+01 -0.374763D-01
      3  -0.404027D-01  0.171118D+01 -0.819135D+00  0.174738D+01 -0.122301D+01
      4  -0.113892D+02 -0.891741D+00  0.126020D+01  0.323989D+00 -0.483613D+01
      5   0.386813D+00  0.510026D+00 -0.134931D+01  0.581443D+00  0.663812D-01
      6   0.201872D+01 -0.991967D+00 -0.322899D+01 -0.279652D+00  0.159602D+00
                96            97            98            99           100 
      1   0.382019D+00  0.114175D+00 -0.482461D+00 -0.114240D+01  0.537565D+01
      2  -0.876441D-02  0.183593D-01  0.427474D+00 -0.157133D+00 -0.267884D+01
      3  -0.373255D+00 -0.132535D+00  0.549868D-01  0.129954D+01 -0.269680D+01
      4  -0.275765D+00  0.174722D+01 -0.341185D-02 -0.125205D+01 -0.883589D+01
      5  -0.187994D+01  0.130775D+01 -0.415559D+00 -0.847353D+00 -0.545308D+01
      6   0.274330D+00 -0.155251D+01  0.237440D+01  0.100380D+01  0.526561D+01
               101           102           103           104           105 
      1  -0.129467D+01 -0.251792D+01 -0.173235D+01 -0.215840D+01  0.413215D+00
      2  -0.109701D+00  0.215696D+01  0.124856D+01  0.321607D+01  0.811245D+00
      3   0.140437D+01  0.360958D+00  0.483786D+00 -0.105767D+01 -0.122446D+01
      4   0.529165D+01  0.532381D+01  0.234173D+01  0.198193D+00 -0.151066D+01
      5   0.145356D+01  0.809680D+01  0.245336D+00 -0.101326D+01 -0.603420D-02
      6  -0.184117D+01 -0.823507D+01 -0.122917D+01 -0.869690D-01  0.147011D+01
               106           107           108           109           110 
      1  -0.374293D+01 -0.265257D+01  0.101879D+01  0.105845D+02 -0.268508D+01
      2   0.408349D+01  0.438480D+01 -0.650857D+01 -0.345468D+01 -0.885080D+00
      3  -0.340560D+00 -0.173223D+01  0.548978D+01 -0.712985D+01  0.357016D+01
      4   0.764314D+01 -0.337312D+01 -0.760793D+01 -0.189779D+02  0.104039D+02
      5   0.779789D+01 -0.197577D+01 -0.120928D+02  0.104953D+02 -0.409593D+01
      6  -0.877883D+01  0.268673D+01  0.156690D+02 -0.984580D+01  0.459907D+01
               111           112           113           114           115 
      1   0.412473D+01 -0.230241D+01 -0.268176D+01 -0.926686D+00  0.376515D+01
      2  -0.192811D+01 -0.276096D+00  0.527738D+01 -0.854958D+00 -0.275159D+01
      3  -0.219662D+01  0.257851D+01 -0.259562D+01  0.178164D+01 -0.101356D+01
      4  -0.900063D+01  0.752745D+01 -0.276292D+01  0.389062D+01 -0.116522D+02
      5   0.967839D+01 -0.193501D+01  0.198425D+01 -0.113355D+01  0.103316D+02
      6  -0.912307D+01  0.409387D+01 -0.138321D+01  0.423745D+01 -0.108397D+02
               116           117           118           119           120 
      1   0.101088D+01  0.175646D+01  0.429403D+02 -0.858421D+01  0.107278D+02
      2  -0.248912D+01 -0.405809D+01 -0.239424D+02  0.434019D+01 -0.607593D+01
      3   0.147825D+01  0.230162D+01 -0.189979D+02  0.424403D+01 -0.465187D+01
      4   0.500827D+01 -0.967336D+01 -0.945975D+01  0.653286D+01 -0.272861D+01
      5  -0.371677D+01  0.966243D+01  0.137866D+02 -0.284261D+01  0.930094D+01
      6   0.538591D+01 -0.110718D+02 -0.315254D+01  0.126040D+01 -0.112281D+01
               121           122           123           124           125 
      1  -0.511210D+01  0.415090D+01 -0.130157D+01  0.186854D+02 -0.410190D+01
      2   0.238814D+01 -0.128616D+01  0.339235D+00 -0.119030D+02  0.266797D+01
      3   0.272396D+01 -0.286474D+01  0.962333D+00 -0.678245D+01  0.143393D+01
      4   0.756012D+01 -0.353606D+01  0.259517D+01 -0.483086D+01  0.363231D+01
      5  -0.184378D+01  0.264569D+01 -0.112471D+01  0.135136D+02 -0.264603D+01
      6   0.158317D+01 -0.821964D+00  0.170578D+01 -0.242916D+01  0.171758D+01
               126 
      1   0.899835D+01
      2  -0.687053D+01
      3  -0.212783D+01
      4  -0.251513D+01
      5   0.843578D+01
      6  -0.165784D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:13:26 2021, MaxMem=  5368709120 cpu:            8397.3 elap:            1051.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52174 -19.51183 -19.46399 -14.61912 -10.57451
 Alpha  occ. eigenvalues --  -10.51579 -10.49849  -1.24839  -1.20397  -1.15649
 Alpha  occ. eigenvalues --   -1.05072  -0.89813  -0.79341  -0.74013  -0.68493
 Alpha  occ. eigenvalues --   -0.68030  -0.62643  -0.59383  -0.58227  -0.56761
 Alpha  occ. eigenvalues --   -0.55344  -0.52922  -0.50743  -0.47710  -0.44014
 Alpha  occ. eigenvalues --   -0.43262  -0.39975  -0.37267
 Alpha virt. eigenvalues --   -0.02139  -0.00472  -0.00048   0.00749   0.01973
 Alpha virt. eigenvalues --    0.02670   0.03724   0.04931   0.05663   0.07423
 Alpha virt. eigenvalues --    0.08393   0.08684   0.09649   0.09923   0.10134
 Alpha virt. eigenvalues --    0.11507   0.12174   0.12999   0.13592   0.14826
 Alpha virt. eigenvalues --    0.15805   0.16665   0.17869   0.18133   0.18898
 Alpha virt. eigenvalues --    0.21380   0.22019   0.22384   0.23109   0.24459
 Alpha virt. eigenvalues --    0.24844   0.25672   0.27251   0.27875   0.28126
 Alpha virt. eigenvalues --    0.29154   0.30540   0.30792   0.31595   0.31860
 Alpha virt. eigenvalues --    0.32572   0.34396   0.35308   0.36535   0.37108
 Alpha virt. eigenvalues --    0.37379   0.38451   0.40549   0.40854   0.42650
 Alpha virt. eigenvalues --    0.42930   0.43351   0.45062   0.46186   0.47594
 Alpha virt. eigenvalues --    0.48301   0.48680   0.49701   0.50543   0.52401
 Alpha virt. eigenvalues --    0.52853   0.53522   0.56121   0.56719   0.57570
 Alpha virt. eigenvalues --    0.59932   0.60523   0.60550   0.60899   0.63452
 Alpha virt. eigenvalues --    0.64671   0.65358   0.66665   0.67960   0.69011
 Alpha virt. eigenvalues --    0.70275   0.70726   0.71846   0.73275   0.74208
 Alpha virt. eigenvalues --    0.77275   0.78354   0.79616   0.81470   0.81925
 Alpha virt. eigenvalues --    0.83083   0.85466   0.86590   0.88412   0.89347
 Alpha virt. eigenvalues --    0.91531   0.93086   0.95888   0.97475   0.98400
 Alpha virt. eigenvalues --    0.99754   1.00208   1.02734   1.06017   1.08930
 Alpha virt. eigenvalues --    1.11231   1.12297   1.12892   1.15025   1.16214
 Alpha virt. eigenvalues --    1.19328   1.20582   1.22133   1.23507   1.26934
 Alpha virt. eigenvalues --    1.27870   1.28921   1.31818   1.31924   1.34004
 Alpha virt. eigenvalues --    1.39215   1.40537   1.44554   1.47956   1.49037
 Alpha virt. eigenvalues --    1.50209   1.52019   1.55321   1.57608   1.59003
 Alpha virt. eigenvalues --    1.61290   1.64247   1.70699   1.71951   1.72103
 Alpha virt. eigenvalues --    1.73461   1.75420   1.81507   1.82850   1.83904
 Alpha virt. eigenvalues --    1.86560   1.87520   1.90730   1.93443   1.94255
 Alpha virt. eigenvalues --    1.95544   1.98751   2.00219   2.04521   2.05969
 Alpha virt. eigenvalues --    2.09694   2.12253   2.14946   2.16139   2.19153
 Alpha virt. eigenvalues --    2.20746   2.21999   2.22846   2.26002   2.29184
 Alpha virt. eigenvalues --    2.31110   2.32587   2.36496   2.39260   2.40668
 Alpha virt. eigenvalues --    2.42904   2.47213   2.50372   2.52210   2.55344
 Alpha virt. eigenvalues --    2.60280   2.63415   2.66934   2.69096   2.73670
 Alpha virt. eigenvalues --    2.77987   2.79380   2.85744   2.89098   2.98307
 Alpha virt. eigenvalues --    3.04426   3.09964   3.13672   3.18327   3.27829
 Alpha virt. eigenvalues --    3.38878   3.44188   3.46286   3.47392   3.49759
 Alpha virt. eigenvalues --    3.50396   3.52791   3.54323   3.56145   3.58624
 Alpha virt. eigenvalues --    3.62522   3.68937   3.77894   3.85093   4.01270
 Alpha virt. eigenvalues --    4.06904
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.733760   0.261664  -0.203137  -0.011764   0.256898  -0.126175
     2  C    0.261664   6.904224  -1.217392   0.118144  -0.050513   0.339790
     3  C   -0.203137  -1.217392   6.746452   0.052384  -0.017663   0.001363
     4  O   -0.011764   0.118144   0.052384   7.910195  -0.005906  -0.015446
     5  O    0.256898  -0.050513  -0.017663  -0.005906   7.893888   0.019823
     6  N   -0.126175   0.339790   0.001363  -0.015446   0.019823   6.085682
     7  O    0.012879  -0.095058   0.669023  -0.071930  -0.003059  -0.005959
     8  H    0.010726  -0.342065  -0.052767   0.012791  -0.015450   0.048501
     9  H    0.222343   0.130815   0.020423  -0.000643  -0.137201  -0.058547
    10  H    0.102189  -0.139453  -0.058567   0.032135   0.013849  -0.006530
    11  H   -0.018649  -0.067847  -0.020512   0.250841   0.041862  -0.006987
    12  H   -0.000058  -0.101383  -0.032845  -0.002136  -0.000054   0.377934
    13  H    0.007594   0.141813  -0.084600   0.006519  -0.001038   0.233002
    14  H   -0.064710   0.048562  -0.009881  -0.007784   0.379769  -0.002485
               7          8          9         10         11         12
     1  C    0.012879   0.010726   0.222343   0.102189  -0.018649  -0.000058
     2  C   -0.095058  -0.342065   0.130815  -0.139453  -0.067847  -0.101383
     3  C    0.669023  -0.052767   0.020423  -0.058567  -0.020512  -0.032845
     4  O   -0.071930   0.012791  -0.000643   0.032135   0.250841  -0.002136
     5  O   -0.003059  -0.015450  -0.137201   0.013849   0.041862  -0.000054
     6  N   -0.005959   0.048501  -0.058547  -0.006530  -0.006987   0.377934
     7  O    7.689115   0.015124   0.001320  -0.000128   0.010148  -0.004961
     8  H    0.015124   1.624351  -0.102884   0.108540   0.001612   0.044365
     9  H    0.001320  -0.102884   1.428255  -0.349765   0.007650  -0.013170
    10  H   -0.000128   0.108540  -0.349765   1.643948  -0.016642   0.008111
    11  H    0.010148   0.001612   0.007650  -0.016642   0.655600  -0.001959
    12  H   -0.004961   0.044365  -0.013170   0.008111  -0.001959   0.817518
    13  H   -0.002527  -0.105803   0.014951  -0.002764   0.000217  -0.096575
    14  H    0.000184   0.001280   0.005748  -0.069247  -0.000596   0.000669
              13         14
     1  C    0.007594  -0.064710
     2  C    0.141813   0.048562
     3  C   -0.084600  -0.009881
     4  O    0.006519  -0.007784
     5  O   -0.001038   0.379769
     6  N    0.233002  -0.002485
     7  O   -0.002527   0.000184
     8  H   -0.105803   0.001280
     9  H    0.014951   0.005748
    10  H   -0.002764  -0.069247
    11  H    0.000217  -0.000596
    12  H   -0.096575   0.000669
    13  H    0.877047   0.000194
    14  H    0.000194   0.568893
 Mulliken charges:
               1
     1  C    0.816441
     2  C    0.068698
     3  C    0.207720
     4  O   -0.267401
     5  O   -0.375206
     6  N    0.116033
     7  O   -0.214171
     8  H   -0.248321
     9  H   -0.169294
    10  H   -0.265677
    11  H    0.165262
    12  H    0.004542
    13  H    0.011971
    14  H    0.149404
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.381470
     2  C   -0.179623
     3  C    0.207720
     4  O   -0.102139
     5  O   -0.225802
     6  N    0.132546
     7  O   -0.214171
 Electronic spatial extent (au):  <R**2>=            765.7401
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0571    Y=              1.7084    Z=              0.3326  Tot=              4.4147
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.3689   YY=            -48.3991   ZZ=            -38.9543
   XY=             -5.5627   XZ=              5.0670   YZ=              0.0808
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.2052   YY=             -5.8250   ZZ=              3.6198
   XY=             -5.5627   XZ=              5.0670   YZ=              0.0808
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             37.8545  YYY=            -11.7530  ZZZ=              0.0333  XYY=              3.4371
  XXY=              6.1614  XXZ=              6.4515  XZZ=             -0.6284  YZZ=              1.3803
  YYZ=             -1.0431  XYZ=             -1.1235
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -433.6826 YYYY=           -438.5926 ZZZZ=            -68.3662 XXXY=            -34.4978
 XXXZ=             35.7416 YYYX=            -18.8700 YYYZ=             -0.1632 ZZZX=              2.0256
 ZZZY=             -0.9923 XXYY=           -126.9287 XXZZ=            -88.0662 YYZZ=            -71.8043
 XXYZ=             -3.1205 YYXZ=              1.1213 ZZXY=             -6.2348
 N-N= 3.265886488201D+02 E-N=-1.587775510475D+03  KE= 3.960847323062D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:13:27 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54870977D+00 6.43249652D-01 1.30228296D-01
 Polarizability= 6.32193334D+01-2.58433716D+00 5.62968229D+01
                -7.22743658D-01 6.51250975D-01 4.40968707D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5490    0.5482       -0.9650   -0.9649
 2     -0.5490   -0.5482       -0.2946   -0.2962       -2.7854   -2.7851
 3      0.9650    0.9649        9.8255    9.8267        0.2942    0.2962
 4      0.2946    0.2962       -0.0000    0.0000        0.9652    0.9649
 5     -7.0401   -7.0416       -0.9652   -0.9649        0.5500    0.5482
 6     -0.2942   -0.2962       -0.5500   -0.5482       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.6446   -1.6446       -2.8947   -2.8947
 2      0.8887    0.8887       -0.0000    0.0000       -2.8947   -2.8947
 3      0.8887    0.8887       -1.6446   -1.6446       -0.0000    0.0000
 4     -1.6446   -1.6446       -0.8887   -0.8887       -8.3553   -8.3553
 5      2.8947    2.8947       29.4800   29.4800        0.8887    0.8887
 6    -21.1247  -21.1247       -2.8947   -2.8947        1.6446    1.6446
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2430    0.0000       -2.2697   -2.1928        3.8245    3.8596
 2      2.2088    2.1928        1.0225    1.1849       11.2965   11.1405
 3     -3.8335   -3.8596      -39.4692  -39.3067       -1.3748   -1.1849
 4     -1.1818   -1.1849        0.0039    0.0000       -3.6784   -3.8596
 5     28.1786   28.1662        3.9171    3.8596       -2.2445   -2.1928
 6      1.2996    1.1849        2.1978    2.1928       -0.0029    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0364    0.0000       -6.8385   -6.8488       -2.9076   -3.1585
 2      6.6360    6.8488        3.7299    3.7688      -10.1023   -9.7872
 3      3.2345    3.1585       10.3660   10.5357       -3.4573   -3.7688
 4     -3.5731   -3.7688        0.0631    0.0000        3.0177    3.1585
 5     -0.1577   -0.7485       -3.3885   -3.1585       -7.1120   -6.8488
 6      3.6264    3.7688        6.8788    6.8488        0.1197    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.5348    4.5797       15.2269   15.2699       14.0277   14.0481
 2     -4.6319   -4.8734        9.0998    9.1703       13.8822   14.0481
 3     -4.7162   -4.8734       15.1850   15.2699       17.1867   17.2468
 4      5.9316    6.0996        9.2359    9.4532       -8.2390   -8.1988
 5      3.1854    3.1988       12.8179   13.0784       -9.0125   -9.4532
 6     -4.1443   -4.8796       -3.1337   -3.1988       -6.3919   -6.0996
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009   -0.0004    2.9596    5.7483    8.8004
 Low frequencies ---   47.9717   96.8332  151.5223
 Diagonal vibrational polarizability:
       67.4860253      35.6629800     386.9730278
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     47.9669                96.8329               151.5216
 Red. masses --      1.7485                 1.9636                 2.6078
 Frc consts  --      0.0024                 0.0108                 0.0353
 IR Inten    --     30.8864                18.3910                 5.3327
 RamAct Fr= 1--      0.1737                 0.5085                 0.1172
  Dep-P Fr= 1--      0.7314                 0.7197                 0.7019
  Dep-U Fr= 1--      0.8449                 0.8370                 0.8248
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0245                 0.0709                 0.0161
 AlphaG Fr= 1--     -0.0013                -0.0024                -0.0003
 Gamma2 Fr= 1--      0.2415                -0.0921                -0.0371
 Delta2 Fr= 1--      0.1455                 0.0134                -0.0416
 Raman1 Fr= 1--       0.695                  2.034                  0.469
 ROA1   Fr= 1--      27.842                 -8.412                 -4.892
 CID1   Fr= 1--      40.073                 -4.136                -10.432
 Raman2 Fr= 1--       0.294                  0.851                  0.193
 ROA2   Fr= 1--       4.633                 -2.318                 -0.557
 CID2   Fr= 1--      15.783                 -2.723                 -2.882
 Raman3 Fr= 1--       0.587                  1.702                  0.387
 ROA3   Fr= 1--      27.842                 -8.412                 -4.892
 CID3   Fr= 1--      47.429                 -4.941                -12.647
 RC180  Fr= 1--       0.690                  0.674                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03     0.02  -0.03  -0.01    -0.06  -0.12   0.20
     2   6     0.00  -0.00  -0.02    -0.00   0.01   0.02     0.03  -0.02   0.04
     3   6     0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.02   0.01   0.02
     4   8    -0.02   0.00  -0.13     0.03   0.02   0.16    -0.02  -0.00   0.03
     5   8    -0.00  -0.01   0.05     0.01  -0.00  -0.10     0.05   0.12  -0.15
     6   7    -0.02  -0.01  -0.04    -0.01  -0.01   0.10     0.02   0.01  -0.14
     7   8     0.05   0.01   0.16    -0.04   0.00  -0.12    -0.01   0.02   0.03
     8   1     0.05  -0.02  -0.01    -0.02   0.04   0.02     0.19  -0.07   0.08
     9   1    -0.01  -0.01   0.05     0.01  -0.02   0.02    -0.13   0.01   0.58
    10   1    -0.06  -0.01   0.02     0.06  -0.08  -0.01    -0.12  -0.54   0.17
    11   1    -0.02   0.00  -0.15     0.03   0.03   0.15    -0.04  -0.02  -0.08
    12   1    -0.53  -0.26  -0.35    -0.54  -0.33  -0.23     0.08   0.18  -0.09
    13   1     0.40   0.33  -0.41     0.42   0.41  -0.26    -0.03  -0.15  -0.12
    14   1    -0.06  -0.06   0.12     0.07   0.02  -0.18     0.07   0.02  -0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6581               292.3915               312.4592
 Red. masses --      2.7899                 1.7026                 3.9498
 Frc consts  --      0.1143                 0.0858                 0.2272
 IR Inten    --      6.9488                89.5744                26.9409
 RamAct Fr= 1--      0.3547                 0.4489                 1.1307
  Dep-P Fr= 1--      0.6237                 0.7401                 0.2944
  Dep-U Fr= 1--      0.7683                 0.8506                 0.4549
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0118
 Beta2  Fr= 1--      0.0454                 0.0636                 0.0857
 AlphaG Fr= 1--     -0.0014                -0.0002                -0.0032
 Gamma2 Fr= 1--      0.1359                 0.2259                 0.0227
 Delta2 Fr= 1--      0.0506                 0.0550                -0.0115
 Raman1 Fr= 1--       1.419                  1.796                  4.523
 ROA1   Fr= 1--      14.668                 23.445                  1.807
 CID1   Fr= 1--      10.339                 13.056                  0.400
 Raman2 Fr= 1--       0.545                  0.764                  1.029
 ROA2   Fr= 1--       2.857                  4.982                  0.636
 CID2   Fr= 1--       5.242                  6.523                  0.618
 Raman3 Fr= 1--       1.090                  1.528                  2.058
 ROA3   Fr= 1--      14.668                 23.445                  1.807
 CID3   Fr= 1--      13.457                 15.349                  0.878
 RC180  Fr= 1--       0.537                  0.701                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.07   0.02    -0.00  -0.01  -0.05    -0.02  -0.02   0.03
     2   6    -0.05   0.07  -0.04    -0.02  -0.04  -0.04     0.07   0.03  -0.11
     3   6     0.03   0.03  -0.02    -0.05  -0.00  -0.01     0.12   0.04  -0.10
     4   8     0.18   0.12   0.04    -0.04  -0.00   0.02    -0.01  -0.04   0.07
     5   8    -0.14  -0.12  -0.04     0.16   0.09  -0.02    -0.05  -0.03  -0.02
     6   7    -0.00   0.10  -0.03     0.02  -0.02   0.04    -0.20  -0.17   0.06
     7   8     0.04  -0.09   0.02    -0.05   0.00   0.01     0.15   0.26  -0.00
     8   1    -0.02   0.10  -0.03    -0.07  -0.02  -0.05     0.12   0.18  -0.10
     9   1     0.05  -0.11   0.14    -0.08   0.04  -0.01     0.06  -0.02   0.21
    10   1    -0.13  -0.18   0.00    -0.03  -0.03  -0.06    -0.15  -0.16   0.00
    11   1     0.16   0.25  -0.01    -0.06   0.02  -0.09    -0.01  -0.12  -0.03
    12   1     0.07   0.15   0.02     0.04  -0.06   0.04    -0.09  -0.44   0.10
    13   1    -0.05   0.08   0.02     0.02   0.06   0.06    -0.36  -0.39   0.18
    14   1    -0.45  -0.59   0.32    -0.42  -0.49   0.70    -0.16  -0.21   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.5246               417.6098               535.9993
 Red. masses --      2.5809                 4.9865                 5.0811
 Frc consts  --      0.1837                 0.5124                 0.8601
 IR Inten    --     26.6146                 3.5388                 2.9888
 RamAct Fr= 1--      0.3805                 2.7968                 5.2956
  Dep-P Fr= 1--      0.5959                 0.7457                 0.1028
  Dep-U Fr= 1--      0.7468                 0.8543                 0.1865
 Alpha2 Fr= 1--      0.0011                 0.0002                 0.0921
 Beta2  Fr= 1--      0.0474                 0.3982                 0.1646
 AlphaG Fr= 1--     -0.0095                -0.0002                -0.0191
 Gamma2 Fr= 1--      0.0321                 0.2175                 0.2199
 Delta2 Fr= 1--     -0.0207                -0.0712                 0.0229
 Raman1 Fr= 1--       1.522                 11.187                 21.182
 ROA1   Fr= 1--       2.423                 18.600                 21.846
 CID1   Fr= 1--       1.592                  1.663                  1.031
 Raman2 Fr= 1--       0.568                  4.779                  1.975
 ROA2   Fr= 1--       0.937                  5.789                  5.095
 CID2   Fr= 1--       1.649                  1.211                  2.580
 Raman3 Fr= 1--       1.137                  9.557                  3.950
 ROA3   Fr= 1--       2.423                 18.600                 21.846
 CID3   Fr= 1--       2.132                  1.946                  5.531
 RC180  Fr= 1--       0.494                  0.709                 -0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.10   0.05     0.09  -0.16  -0.03     0.11  -0.04  -0.00
     2   6     0.05   0.02   0.21    -0.06  -0.03   0.03    -0.01   0.25  -0.05
     3   6     0.03  -0.00   0.11    -0.10   0.11   0.04     0.03   0.00  -0.09
     4   8    -0.03  -0.02  -0.05     0.08   0.27  -0.06    -0.14  -0.15   0.08
     5   8    -0.05  -0.02  -0.08     0.24  -0.15   0.05     0.16  -0.09   0.02
     6   7    -0.11  -0.02  -0.08    -0.19  -0.09  -0.04    -0.20   0.26  -0.02
     7   8    -0.02   0.00  -0.07    -0.11   0.02   0.02     0.07  -0.15   0.02
     8   1     0.09  -0.10   0.22    -0.11  -0.08   0.02    -0.04   0.42  -0.05
     9   1     0.18   0.04  -0.16     0.07  -0.16  -0.05     0.26  -0.07   0.18
    10   1     0.40   0.20   0.08     0.13  -0.15  -0.03     0.02  -0.18  -0.03
    11   1    -0.03   0.01  -0.03     0.09   0.36   0.05    -0.12  -0.40  -0.06
    12   1    -0.19   0.11  -0.12    -0.14  -0.10  -0.02    -0.18   0.25  -0.00
    13   1    -0.05  -0.28  -0.19    -0.27  -0.36  -0.02    -0.23   0.10  -0.03
    14   1    -0.27  -0.50   0.16     0.41   0.25  -0.13     0.16   0.05   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    612.5585               735.1443               762.0469
 Red. masses --      4.4816                 3.7228                 1.2610
 Frc consts  --      0.9908                 1.1854                 0.4315
 IR Inten    --     23.0235                12.5882                75.9020
 RamAct Fr= 1--      2.3610                 2.4973                 3.2744
  Dep-P Fr= 1--      0.7339                 0.0543                 0.1660
  Dep-U Fr= 1--      0.8466                 0.1029                 0.2848
 Alpha2 Fr= 1--      0.0006                 0.0488                 0.0486
 Beta2  Fr= 1--      0.3331                 0.0428                 0.1554
 AlphaG Fr= 1--      0.0033                -0.0026                 0.0910
 Gamma2 Fr= 1--     -1.0888                -0.1495                -0.1290
 Delta2 Fr= 1--      0.0462                -0.1606                 0.3566
 Raman1 Fr= 1--       9.444                  9.989                 13.098
 ROA1   Fr= 1--    -103.045                -19.490                 -0.975
 CID1   Fr= 1--     -10.911                 -1.951                 -0.074
 Raman2 Fr= 1--       3.997                  0.514                  1.865
 ROA2   Fr= 1--     -26.500                 -2.303                 -5.949
 CID2   Fr= 1--      -6.629                 -4.479                 -3.190
 Raman3 Fr= 1--       7.995                  1.028                  3.730
 ROA3   Fr= 1--    -103.045                -19.490                 -0.975
 CID3   Fr= 1--     -12.889                -18.955                 -0.261
 RC180  Fr= 1--       0.693                 -0.794                 -0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.11  -0.09    -0.06  -0.02  -0.08     0.03   0.03   0.02
     2   6    -0.20  -0.07   0.13     0.07   0.04  -0.08     0.02   0.03  -0.04
     3   6     0.11  -0.07   0.16     0.16   0.14   0.30    -0.05  -0.05  -0.02
     4   8     0.12  -0.14  -0.08    -0.15   0.08  -0.06     0.02  -0.04  -0.05
     5   8     0.08  -0.03   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.02
     6   7    -0.06   0.14  -0.00     0.02  -0.03   0.01    -0.00   0.01   0.00
     7   8     0.07   0.21  -0.09     0.07  -0.13  -0.09    -0.04   0.02   0.04
     8   1    -0.42  -0.17   0.09    -0.22  -0.23  -0.13     0.05   0.04  -0.03
     9   1    -0.23  -0.08  -0.09     0.06   0.02   0.30     0.08   0.02   0.10
    10   1    -0.10  -0.12  -0.08    -0.38  -0.25  -0.13    -0.00  -0.04   0.01
    11   1     0.16  -0.10   0.20    -0.03  -0.20   0.44     0.16   0.12   0.95
    12   1    -0.10   0.46   0.00    -0.00  -0.27  -0.03     0.01  -0.06   0.00
    13   1     0.04   0.20  -0.08    -0.03  -0.08   0.05    -0.03   0.01   0.02
    14   1    -0.01   0.19   0.17    -0.08   0.08   0.11    -0.02  -0.08   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    813.5457               898.5335               991.0884
 Red. masses --      2.7960                 1.5223                 2.1300
 Frc consts  --      1.0903                 0.7241                 1.2327
 IR Inten    --     12.6564               148.5052                 7.5063
 RamAct Fr= 1--      5.6627                 1.3061                 6.2943
  Dep-P Fr= 1--      0.0635                 0.1969                 0.3715
  Dep-U Fr= 1--      0.1195                 0.3290                 0.5418
 Alpha2 Fr= 1--      0.1083                 0.0179                 0.0515
 Beta2  Fr= 1--      0.1128                 0.0716                 0.5683
 AlphaG Fr= 1--     -0.0964                -0.0184                -0.0359
 Gamma2 Fr= 1--      0.0210                 0.0442                -0.9557
 Delta2 Fr= 1--      0.1628                 0.1817                -0.3520
 Raman1 Fr= 1--      22.651                  5.224                 25.177
 ROA1   Fr= 1--       7.229                 10.062               -103.015
 CID1   Fr= 1--       0.319                  1.926                 -4.092
 Raman2 Fr= 1--       1.353                  0.859                  6.820
 ROA2   Fr= 1--      -0.797                 -0.392                -20.122
 CID2   Fr= 1--      -0.589                 -0.456                 -2.950
 Raman3 Fr= 1--       2.706                  1.719                 13.640
 ROA3   Fr= 1--       7.229                 10.062               -103.015
 CID3   Fr= 1--       2.671                  5.855                 -7.552
 RC180  Fr= 1--      -0.761                 -0.342                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00     0.06   0.05   0.03    -0.01   0.07   0.17
     2   6     0.07   0.08  -0.14    -0.07   0.03  -0.03    -0.10  -0.12  -0.13
     3   6    -0.06  -0.10   0.19     0.01   0.01   0.01     0.04   0.00   0.05
     4   8     0.12  -0.09  -0.02    -0.01   0.01  -0.00    -0.03   0.02  -0.00
     5   8    -0.01  -0.01   0.03     0.01  -0.01   0.00     0.05  -0.04  -0.03
     6   7    -0.01   0.04   0.00    -0.05  -0.16  -0.02    -0.03   0.09  -0.00
     7   8    -0.15   0.06  -0.02     0.02   0.00  -0.01     0.03  -0.00  -0.03
     8   1    -0.13  -0.04  -0.17    -0.12   0.06  -0.04     0.13  -0.34  -0.07
     9   1     0.31   0.05   0.38     0.13   0.04   0.15    -0.13   0.03  -0.21
    10   1    -0.25  -0.18  -0.06    -0.02  -0.06   0.02     0.20   0.32   0.21
    11   1    -0.01   0.17  -0.59    -0.01  -0.00   0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.25  -0.01     0.28   0.53   0.19     0.08  -0.34   0.02
    13   1    -0.09   0.04   0.08     0.17   0.67  -0.04    -0.23   0.32   0.23
    14   1     0.07  -0.06  -0.11     0.05  -0.09  -0.07     0.15  -0.34  -0.22
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1028.3208              1056.6756              1155.0227
 Red. masses --      4.3433                 2.0606                 1.4496
 Frc consts  --      2.7060                 1.3556                 1.1394
 IR Inten    --    105.1666                 8.3834                 4.1778
 RamAct Fr= 1--      1.8077                 1.0118                 0.2082
  Dep-P Fr= 1--      0.5318                 0.7354                 0.7002
  Dep-U Fr= 1--      0.6944                 0.8475                 0.8237
 Alpha2 Fr= 1--      0.0076                 0.0003                 0.0002
 Beta2  Fr= 1--      0.2092                 0.1429                 0.0286
 AlphaG Fr= 1--     -0.0044                -0.0011                -0.0004
 Gamma2 Fr= 1--     -0.2046                -0.5938                -0.0517
 Delta2 Fr= 1--      0.0449                -0.2131                -0.1047
 Raman1 Fr= 1--       7.231                  4.047                  0.833
 ROA1   Fr= 1--     -18.204                -63.827                 -8.310
 CID1   Fr= 1--      -2.517                -15.771                 -9.976
 Raman2 Fr= 1--       2.511                  1.715                  0.343
 ROA2   Fr= 1--      -5.269                -12.547                 -0.403
 CID2   Fr= 1--      -2.099                 -7.316                 -1.175
 Raman3 Fr= 1--       5.021                  3.430                  0.686
 ROA3   Fr= 1--     -18.204                -63.827                 -8.310
 CID3   Fr= 1--      -3.626                -18.608                -12.112
 RC180  Fr= 1--       0.389                  0.695                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.31  -0.20  -0.06     0.01   0.20  -0.02     0.01   0.04  -0.07
     2   6    -0.09  -0.16  -0.04    -0.06  -0.09   0.07     0.10  -0.09   0.03
     3   6     0.01   0.02  -0.06     0.00  -0.06  -0.09    -0.01  -0.04  -0.02
     4   8    -0.01   0.02   0.00    -0.04   0.05   0.02    -0.01   0.03   0.00
     5   8    -0.15   0.21   0.11     0.04  -0.08  -0.01    -0.02  -0.03  -0.01
     6   7    -0.04   0.10   0.01     0.04   0.03   0.01    -0.08   0.05   0.00
     7   8     0.05   0.00  -0.00     0.05   0.00   0.01     0.00   0.00   0.00
     8   1    -0.50  -0.36  -0.12    -0.44  -0.15  -0.01     0.44  -0.36   0.10
     9   1     0.22  -0.08   0.17     0.13   0.26   0.49    -0.03   0.12   0.17
    10   1     0.13  -0.28  -0.07    -0.37  -0.25  -0.10     0.14  -0.32  -0.08
    11   1     0.00  -0.01   0.12    -0.04   0.09  -0.03    -0.01   0.02  -0.02
    12   1    -0.09  -0.02  -0.02    -0.14   0.03  -0.08     0.11  -0.03   0.09
    13   1    -0.12   0.03   0.06     0.03  -0.29  -0.05    -0.11   0.42   0.11
    14   1     0.01  -0.27  -0.20     0.10  -0.13  -0.09    -0.16   0.39   0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1178.5771              1215.5463              1237.8635
 Red. masses --      1.9319                 2.5279                 1.1317
 Frc consts  --      1.5811                 2.2006                 1.0217
 IR Inten    --     53.0482                46.6451                 2.3093
 RamAct Fr= 1--      1.1836                 6.1041                 2.7741
  Dep-P Fr= 1--      0.6083                 0.4966                 0.7017
  Dep-U Fr= 1--      0.7564                 0.6636                 0.8247
 Alpha2 Fr= 1--      0.0031                 0.0306                 0.0023
 Beta2  Fr= 1--      0.1492                 0.6751                 0.3813
 AlphaG Fr= 1--      0.0180                 0.0385                -0.0071
 Gamma2 Fr= 1--      0.3560                 0.2480                 0.1801
 Delta2 Fr= 1--     -0.4149                 0.7179                 0.3581
 Raman1 Fr= 1--       4.734                 24.416                 11.096
 ROA1   Fr= 1--      20.900                 46.784                 28.750
 CID1   Fr= 1--       4.415                  1.916                  2.591
 Raman2 Fr= 1--       1.791                  8.102                  4.576
 ROA2   Fr= 1--      11.863                  0.209                  1.457
 CID2   Fr= 1--       6.625                  0.026                  0.318
 Raman3 Fr= 1--       3.581                 16.204                  9.151
 ROA3   Fr= 1--      20.900                 46.784                 28.750
 CID3   Fr= 1--       5.836                  2.887                  3.142
 RC180  Fr= 1--       0.513                  0.327                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01    -0.02   0.03  -0.03    -0.03  -0.02   0.04
     2   6     0.16  -0.11  -0.06     0.11  -0.05   0.04     0.04   0.00   0.03
     3   6     0.01  -0.11   0.04    -0.05   0.27  -0.06    -0.01  -0.02  -0.04
     4   8    -0.04   0.06  -0.00     0.09  -0.11  -0.01    -0.00   0.01   0.00
     5   8     0.01   0.03   0.01     0.01  -0.02   0.01     0.01   0.02  -0.04
     6   7    -0.08   0.05   0.06    -0.05   0.01   0.03    -0.01   0.00  -0.00
     7   8     0.01   0.00  -0.01    -0.06  -0.02   0.03     0.01   0.00   0.01
     8   1     0.13   0.31  -0.08    -0.04  -0.45   0.02    -0.19  -0.34  -0.00
     9   1    -0.12  -0.03  -0.13    -0.29   0.16   0.01     0.61  -0.37  -0.08
    10   1    -0.34   0.21  -0.04    -0.42   0.08  -0.08    -0.35   0.37   0.04
    11   1    -0.06   0.21   0.02     0.12  -0.35   0.02     0.00  -0.01  -0.00
    12   1    -0.13   0.57   0.07     0.00   0.16   0.07     0.03  -0.01   0.02
    13   1     0.12  -0.06  -0.16     0.03   0.06  -0.03    -0.02   0.08   0.02
    14   1     0.13  -0.33  -0.23     0.13  -0.36  -0.22    -0.08   0.19   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1283.5480              1337.9390              1396.0612
 Red. masses --      1.6478                 1.3218                 1.2687
 Frc consts  --      1.5995                 1.3941                 1.4569
 IR Inten    --     31.7659                 3.2232                29.9582
 RamAct Fr= 1--      1.4589                 7.3233                 1.9030
  Dep-P Fr= 1--      0.2335                 0.7151                 0.5763
  Dep-U Fr= 1--      0.3786                 0.8339                 0.7312
 Alpha2 Fr= 1--      0.0181                 0.0044                 0.0062
 Beta2  Fr= 1--      0.0921                 1.0178                 0.2319
 AlphaG Fr= 1--     -0.0006                -0.0020                -0.0118
 Gamma2 Fr= 1--     -0.1416                 0.1597                -0.0660
 Delta2 Fr= 1--     -0.0645                 0.3090                -0.4018
 Raman1 Fr= 1--       5.836                 29.293                  7.612
 ROA1   Fr= 1--     -15.663                 25.222                -19.190
 CID1   Fr= 1--      -2.684                  0.861                 -2.521
 Raman2 Fr= 1--       1.105                 12.214                  2.783
 ROA2   Fr= 1--      -2.883                  1.362                  1.632
 CID2   Fr= 1--      -2.610                  0.111                  0.586
 Raman3 Fr= 1--       2.209                 24.427                  5.566
 ROA3   Fr= 1--     -15.663                 25.222                -19.190
 CID3   Fr= 1--      -7.089                  1.033                 -3.448
 RC180  Fr= 1--      -0.243                  0.668                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.09     0.02   0.02  -0.05     0.05  -0.01   0.02
     2   6    -0.00  -0.12  -0.11    -0.13  -0.07   0.01     0.04  -0.07   0.07
     3   6    -0.00   0.09   0.02     0.01   0.04   0.03     0.01  -0.01   0.00
     4   8     0.03  -0.02  -0.01     0.01  -0.00  -0.01     0.01   0.03  -0.00
     5   8    -0.02  -0.03  -0.04     0.00   0.02   0.01    -0.01  -0.01  -0.02
     6   7    -0.00   0.01   0.05     0.02   0.00   0.01    -0.00   0.01  -0.07
     7   8    -0.03  -0.01   0.00    -0.02  -0.00  -0.00    -0.03   0.00   0.01
     8   1    -0.19   0.24  -0.17     0.72   0.29   0.17    -0.27   0.59  -0.01
     9   1     0.12  -0.01   0.02     0.40  -0.14   0.08    -0.18   0.09  -0.01
    10   1     0.28  -0.01   0.12    -0.30   0.00  -0.09    -0.31   0.16  -0.01
    11   1     0.06  -0.24  -0.02     0.05  -0.20   0.00     0.07  -0.32   0.02
    12   1    -0.18   0.37  -0.01    -0.06   0.02  -0.03     0.12  -0.32  -0.03
    13   1     0.12  -0.27  -0.13    -0.02  -0.07   0.02    -0.17   0.31   0.15
    14   1    -0.22   0.47   0.33     0.04  -0.09  -0.06    -0.06   0.10   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1426.5506              1439.6075              1522.2237
 Red. masses --      1.3598                 1.5048                 1.0836
 Frc consts  --      1.6304                 1.8375                 1.4793
 IR Inten    --    260.8110                 6.9666                 2.6525
 RamAct Fr= 1--      2.0260                 2.1124                 4.9990
  Dep-P Fr= 1--      0.0721                 0.5422                 0.7317
  Dep-U Fr= 1--      0.1345                 0.7031                 0.8451
 Alpha2 Fr= 1--      0.0380                 0.0084                 0.0016
 Beta2  Fr= 1--      0.0454                 0.2475                 0.7041
 AlphaG Fr= 1--      0.0004                 0.0051                 0.0072
 Gamma2 Fr= 1--      0.3284                 0.0560                -0.0375
 Delta2 Fr= 1--      0.0701                -0.4729                -0.2077
 Raman1 Fr= 1--       8.104                  8.450                 19.996
 ROA1   Fr= 1--      33.773                 -9.761                -10.252
 CID1   Fr= 1--       4.167                 -1.155                 -0.513
 Raman2 Fr= 1--       0.545                  2.971                  8.449
 ROA2   Fr= 1--       7.322                  5.127                  0.761
 CID2   Fr= 1--      13.431                  1.726                  0.090
 Raman3 Fr= 1--       1.090                  5.941                 16.898
 ROA3   Fr= 1--      33.773                 -9.761                -10.252
 CID3   Fr= 1--      30.978                 -1.643                 -0.607
 RC180  Fr= 1--      -0.731                  0.406                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.02    -0.14   0.04  -0.04    -0.02  -0.05  -0.06
     2   6    -0.01  -0.05   0.02     0.07  -0.08   0.03    -0.01  -0.01  -0.00
     3   6    -0.02   0.10   0.01    -0.01   0.06  -0.00    -0.01   0.01   0.00
     4   8    -0.02  -0.09   0.01     0.00  -0.03   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.01  -0.02     0.01   0.03   0.04     0.00  -0.01  -0.01
     6   7     0.00   0.00  -0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   8     0.05  -0.02  -0.01    -0.00  -0.01   0.00     0.01  -0.00  -0.00
     8   1     0.02   0.19   0.02    -0.23   0.33  -0.04     0.04   0.01   0.01
     9   1    -0.05   0.01  -0.06     0.47  -0.24   0.07    -0.03   0.16   0.69
    10   1    -0.21   0.04  -0.01     0.53  -0.26   0.02     0.24   0.65   0.05
    11   1    -0.19   0.89  -0.01    -0.01   0.09  -0.00    -0.01   0.05  -0.00
    12   1     0.01  -0.07  -0.01     0.07  -0.14   0.00     0.00   0.01   0.00
    13   1    -0.05   0.06   0.04    -0.05   0.16   0.05     0.00  -0.00  -0.00
    14   1    -0.05   0.18   0.09     0.12  -0.25  -0.17     0.00   0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1681.7202              1830.5424              3013.8551
 Red. masses --      1.0843                 9.2152                 1.0662
 Frc consts  --      1.8068                18.1935                 5.7060
 IR Inten    --     23.5558               315.4206                22.1728
 RamAct Fr= 1--      2.1903                14.7976               164.0913
  Dep-P Fr= 1--      0.5783                 0.3172                 0.1073
  Dep-U Fr= 1--      0.7328                 0.4817                 0.1938
 Alpha2 Fr= 1--      0.0071                 0.1440                 2.8219
 Beta2  Fr= 1--      0.2675                 1.1880                 5.3008
 AlphaG Fr= 1--     -0.0026                -0.1077                 0.1749
 Gamma2 Fr= 1--     -0.1378                -0.2992                -2.4336
 Delta2 Fr= 1--      0.1560                 0.0048                -3.0162
 Raman1 Fr= 1--       8.761                 59.191                656.365
 ROA1   Fr= 1--      -8.234                -28.568               -330.144
 CID1   Fr= 1--      -0.940                 -0.483                 -0.503
 Raman2 Fr= 1--       3.210                 14.256                 63.610
 ROA2   Fr= 1--      -4.554                 -7.219                -34.277
 CID2   Fr= 1--      -1.419                 -0.506                 -0.539
 Raman3 Fr= 1--       6.420                 28.511                127.220
 ROA3   Fr= 1--      -8.234                -28.568               -330.144
 CID3   Fr= 1--      -1.282                 -1.002                 -2.595
 RC180  Fr= 1--       0.466                 -0.037                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.07
     2   6    -0.02  -0.02   0.00    -0.03  -0.01   0.01    -0.00   0.00   0.03
     3   6    -0.00   0.00   0.00     0.67   0.01  -0.18     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   7    -0.06   0.04   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.42  -0.01   0.11    -0.00  -0.00   0.00
     8   1    -0.00   0.04   0.01    -0.04  -0.09  -0.00     0.07  -0.01  -0.31
     9   1     0.01   0.00   0.00    -0.00  -0.02   0.02     0.13   0.27  -0.09
    10   1    -0.02   0.00   0.00     0.03   0.03   0.00    -0.12  -0.08   0.88
    11   1     0.00  -0.01   0.00    -0.09   0.54  -0.00    -0.01   0.00   0.00
    12   1     0.57  -0.31   0.30     0.04   0.03   0.03    -0.00  -0.00   0.00
    13   1     0.44  -0.17  -0.50     0.03   0.03  -0.03     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01     0.01   0.03   0.01     0.00  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3036.4771              3086.1292              3493.2685
 Red. masses --      1.0800                 1.1019                 1.0520
 Frc consts  --      5.8668                 6.1836                 7.5635
 IR Inten    --     22.2558                23.0926                 5.6710
 RamAct Fr= 1--     36.8135                84.6237                82.1038
  Dep-P Fr= 1--      0.4061                 0.3765                 0.0645
  Dep-U Fr= 1--      0.5777                 0.5471                 0.1211
 Alpha2 Fr= 1--      0.2667                 0.6803                 1.5667
 Beta2  Fr= 1--      3.5443                 7.7157                 1.6576
 AlphaG Fr= 1--      0.0919                 0.2871                -0.0764
 Gamma2 Fr= 1--      0.0175                 3.5922                -0.5302
 Delta2 Fr= 1--     -2.3620                 3.9863                -0.7644
 Raman1 Fr= 1--     147.254                338.495                328.415
 ROA1   Fr= 1--     -73.905                472.408                -75.357
 CID1   Fr= 1--      -0.502                  1.396                 -0.229
 Raman2 Fr= 1--      42.531                 92.588                 19.892
 ROA2   Fr= 1--      19.316                 54.322                 -6.609
 CID2   Fr= 1--       0.454                  0.587                 -0.332
 Raman3 Fr= 1--      85.062                185.176                 39.783
 ROA3   Fr= 1--     -73.905                472.408                -75.357
 CID3   Fr= 1--      -0.869                  2.551                 -1.894
 RC180  Fr= 1--       0.155                  0.094                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.04  -0.07   0.05    -0.00  -0.00  -0.00
     2   6     0.02  -0.00  -0.08    -0.00  -0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.00  -0.03
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.18   0.02   0.92     0.02  -0.00  -0.12    -0.00   0.00   0.01
     9   1     0.10   0.20  -0.06     0.40   0.81  -0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.26     0.03   0.02  -0.35     0.00  -0.00   0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.00
    12   1     0.01   0.01  -0.02     0.00  -0.00   0.00    -0.39  -0.06   0.76
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.34   0.08  -0.38
    14   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3516.6006              3562.2513              3820.1123
 Red. masses --      1.0670                 1.0892                 1.0667
 Frc consts  --      7.7740                 8.1431                 9.1715
 IR Inten    --    357.2883                 8.5247                56.3317
 RamAct Fr= 1--     56.7996                49.6365               101.7887
  Dep-P Fr= 1--      0.1492                 0.5404                 0.2178
  Dep-U Fr= 1--      0.2596                 0.7016                 0.3576
 Alpha2 Fr= 1--      0.8799                 0.2001                 1.3182
 Beta2  Fr= 1--      2.4579                 5.8045                 6.0673
 AlphaG Fr= 1--      0.0751                 0.3400                -0.1400
 Gamma2 Fr= 1--      1.9375                -1.6180                 0.5573
 Delta2 Fr= 1--     -0.5846                 0.1666                 1.3506
 Raman1 Fr= 1--     227.199                198.546                407.155
 ROA1   Fr= 1--     167.296               -149.999                 96.720
 CID1   Fr= 1--       0.736                 -0.755                  0.238
 Raman2 Fr= 1--      29.495                 69.654                 72.807
 ROA2   Fr= 1--      51.177                -40.165                  2.570
 CID2   Fr= 1--       1.735                 -0.577                  0.035
 Raman3 Fr= 1--      58.991                139.307                145.615
 ROA3   Fr= 1--     167.296               -149.999                 96.720
 CID3   Fr= 1--       2.836                 -1.077                  0.664
 RC180  Fr= 1--      -0.481                  0.403                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   8    -0.06  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.04
     6   7     0.00  -0.00  -0.00    -0.02   0.01  -0.07     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.97   0.16  -0.16    -0.02  -0.00   0.00    -0.02  -0.00   0.00
    12   1    -0.01  -0.00   0.02    -0.26  -0.05   0.44    -0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.60  -0.12   0.60     0.00  -0.00   0.00
    14   1     0.02   0.00   0.01    -0.00   0.00  -0.00     0.81  -0.10   0.57

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.21772 721.620721173.27663
           X            0.99727  -0.07214   0.01583
           Y            0.07211   0.99739   0.00201
           Z           -0.01594  -0.00087   0.99987
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16428     0.12003     0.07382
 Rotational constants (GHZ):           3.42314     2.50096     1.53821
 Zero-point vibrational energy     296660.6 (Joules/Mol)
                                   70.90358 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     69.01   139.32   218.01   379.35   420.69
          (Kelvin)            449.56   500.01   600.85   771.18   881.34
                             1057.71  1096.42  1170.51  1292.79  1425.96
                             1479.52  1520.32  1661.82  1695.71  1748.90
                             1781.01  1846.74  1925.00  2008.62  2052.49
                             2071.27  2190.14  2419.62  2633.74  4336.27
                             4368.81  4440.25  5026.03  5059.60  5125.29
                             5496.29
 
 Zero-point correction=                           0.112992 (Hartree/Particle)
 Thermal correction to Energy=                    0.120893
 Thermal correction to Enthalpy=                  0.121838
 Thermal correction to Gibbs Free Energy=         0.080291
 Sum of electronic and zero-point Energies=           -399.037696
 Sum of electronic and thermal Energies=              -399.029794
 Sum of electronic and thermal Enthalpies=            -399.028850
 Sum of electronic and thermal Free Energies=         -399.070397
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.862             27.267             87.443
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.592
 Vibrational             74.084             21.306             19.986
 Vibration     1          0.595              1.978              4.899
 Vibration     2          0.603              1.951              3.517
 Vibration     3          0.619              1.901              2.653
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.688              1.688              1.460
 Vibration     6          0.701              1.650              1.349
 Vibration     7          0.725              1.580              1.177
 Vibration     8          0.781              1.432              0.900
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.117181D-36        -36.931141        -85.037096
 Total V=0       0.110038D+16         15.041545         34.634436
 Vib (Bot)       0.115787D-49        -49.936339       -114.982669
 Vib (Bot)    1  0.431053D+01          0.634531          1.461061
 Vib (Bot)    2  0.212068D+01          0.326474          0.751735
 Vib (Bot)    3  0.133763D+01          0.126335          0.290896
 Vib (Bot)    4  0.735346D+00         -0.133508         -0.307414
 Vib (Bot)    5  0.653175D+00         -0.184970         -0.425910
 Vib (Bot)    6  0.604309D+00         -0.218741         -0.503669
 Vib (Bot)    7  0.531747D+00         -0.274295         -0.631588
 Vib (Bot)    8  0.421229D+00         -0.375482         -0.864579
 Vib (Bot)    9  0.296705D+00         -0.527676         -1.215018
 Vib (Bot)   10  0.240610D+00         -0.618686         -1.424578
 Vib (V=0)       0.108729D+03          2.036347          4.688863
 Vib (V=0)    1  0.483943D+01          0.684794          1.576797
 Vib (V=0)    2  0.267882D+01          0.427944          0.985378
 Vib (V=0)    3  0.192802D+01          0.285112          0.656494
 Vib (V=0)    4  0.138923D+01          0.142775          0.328751
 Vib (V=0)    5  0.132258D+01          0.121422          0.279584
 Vib (V=0)    6  0.128434D+01          0.108680          0.250245
 Vib (V=0)    7  0.122990D+01          0.089870          0.206933
 Vib (V=0)    8  0.115378D+01          0.062125          0.143047
 Vib (V=0)    9  0.108141D+01          0.033989          0.078263
 Vib (V=0)   10  0.105488D+01          0.023204          0.053428
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.239164D+06          5.378695         12.384904
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        333             333                                       1    1    1 111 1 11111  11                                  
     8        554             000                                       8    6    5 443 3 22211  00 9  8 8 77   6  5   4 3322  1     
     2        619             831                                       3    8    2 429 3 83175  52 9  9 1 63   1  3   1 4196  5 9 4 
     0        273             664                                       1    2    2 076 8 48695  78 1  9 4 25   3  6   8 8224  2 7 8 
 
     X        XXX             XXX                                       X    X    X XXX X XXXXX  XX X  X X XX   X  X   X XXXX  X X X 
     X         X                                                        X            XX   X XX    X    X   X              XX       X 
     X         X                                                        X            X      XX    X    X   X               X         
               X                                                        X            X            X    X   X               X         
               X                                                        X            X            X    X                   X         
               X                                                        X            X            X    X                             
               X                                                        X            X                 X                             
               X                                                        X            X                 X                             
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                                                                                     
               X                                                                                                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015251    0.000001104    0.000009506
      2        6          -0.000001430    0.000022009   -0.000005280
      3        6           0.000028584   -0.000015838    0.000000386
      4        8          -0.000005131    0.000007491    0.000005994
      5        8           0.000017740   -0.000016905   -0.000010023
      6        7          -0.000011560   -0.000009771   -0.000002763
      7        8          -0.000008676    0.000004067   -0.000000953
      8        1           0.000009765   -0.000007526    0.000002065
      9        1          -0.000000072   -0.000002701   -0.000001350
     10        1           0.000002505   -0.000000890   -0.000001754
     11        1          -0.000011826    0.000012013   -0.000001744
     12        1          -0.000002259    0.000003945    0.000002929
     13        1          -0.000002064    0.000004448   -0.000000436
     14        1          -0.000000325   -0.000001446    0.000003424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028584 RMS     0.000009239
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683778D+02 -0.192979D+01 -0.109642D+01
      2  -0.192979D+01  0.628076D+02  0.592465D+00
      3  -0.109642D+01  0.592465D+00  0.487245D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.364723D+01 -0.173131D+01 -0.174539D+02
      2   0.488979D+01  0.124638D+01  0.374206D+01
      3   0.106051D+02  0.267753D-01  0.162063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.145325D+00 -0.242934D+02  0.913468D+01
      2   0.221721D+01  0.394166D+02 -0.811214D+01
      3  -0.236253D+01 -0.151231D+02 -0.102254D+01
      4   0.162721D+02  0.266937D+01  0.744253D+01
      5   0.123539D+02  0.389632D+01  0.754281D+01
      6   0.688932D+01 -0.169417D+01  0.315420D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.307856D+01  0.831113D+00  0.186047D+01  0.353235D+00 -0.471484D+01
      2   0.831113D+00 -0.269291D+01  0.264281D+00 -0.471484D+01 -0.391729D+01
      3   0.186047D+01  0.264281D+00  0.183249D+01  0.780844D-02  0.125374D+01
                 6             7             8             9            10 
      1   0.780844D-02  0.270028D+01  0.119138D+00  0.100274D+01 -0.436321D+01
      2   0.125374D+01  0.119138D+00  0.208075D+01 -0.213835D+00  0.206065D+00
      3  -0.107563D+00  0.100274D+01 -0.213835D+00 -0.739336D+01 -0.115549D+01
                11            12            13            14            15 
      1   0.206065D+00 -0.115549D+01 -0.123757D+01  0.349506D+01  0.202100D+00
      2   0.395639D+01  0.239006D-01  0.349506D+01  0.422767D+01 -0.271233D+00
      3   0.239006D-01 -0.196312D+01  0.202100D+00 -0.271233D+00  0.536632D+00
                16            17            18            19            20 
      1  -0.147280D+01 -0.168401D-01 -0.205192D+01  0.714466D+01 -0.605078D-01
      2  -0.168401D-01 -0.130210D+01  0.203424D-01 -0.605078D-01 -0.202030D+01
      3  -0.205192D+01  0.203424D-01  0.687704D+01 -0.131990D+01 -0.340979D+00
                21            22            23            24            25 
      1  -0.131990D+01  0.934011D-01 -0.289110D+01 -0.294138D+00 -0.174621D+01
      2  -0.340979D+00 -0.289110D+01 -0.266608D+01  0.292721D+00 -0.257057D+00
      3   0.749874D+00 -0.294138D+00  0.292721D+00 -0.768963D+00  0.783881D+00
                26            27            28            29            30 
      1  -0.257057D+00  0.783881D+00 -0.406454D+01 -0.297427D+01  0.253058D+00
      2   0.666950D+00 -0.464696D+00 -0.297427D+01 -0.307747D+00 -0.119731D+00
      3  -0.464696D+00 -0.113752D+01  0.253058D+00 -0.119731D+00  0.111420D+00
                31            32            33            34            35 
      1  -0.153492D+01  0.165881D+01 -0.687935D-01  0.760728D+00  0.354240D-01
      2   0.165881D+01 -0.797845D+01 -0.478683D+00  0.354240D-01  0.113446D+00
      3  -0.687935D-01 -0.478683D+00 -0.970845D+00  0.597403D+00 -0.191025D+01
                36            37            38            39            40 
      1   0.597403D+00 -0.200475D+01 -0.128373D+01 -0.272387D+01 -0.180380D+01
      2  -0.191025D+01 -0.128373D+01  0.261289D-01  0.415787D+00  0.220659D+01
      3  -0.314347D+00 -0.272387D+01  0.415787D+00 -0.108598D+01  0.363460D+00
                41            42            43            44            45 
      1   0.220659D+01  0.363460D+00 -0.512431D+01  0.127021D+01 -0.274953D+00
      2  -0.240327D+01 -0.102118D+01  0.127021D+01 -0.159833D+01 -0.726248D+00
      3  -0.102118D+01  0.694477D-01 -0.274953D+00 -0.726248D+00 -0.154468D+01
                46            47            48            49            50 
      1   0.328786D+01 -0.330127D+00  0.100439D+01  0.541142D+00 -0.214322D+01
      2  -0.330127D+00 -0.895666D+00 -0.316600D+00 -0.214322D+01  0.488992D+01
      3   0.100439D+01 -0.316600D+00  0.372057D+01 -0.615270D+00  0.161917D+00
                51            52            53            54            55 
      1  -0.615270D+00  0.148350D+01 -0.678507D+00  0.358614D+01 -0.141384D+02
      2   0.161917D+00 -0.678507D+00 -0.159072D-01  0.977335D+00 -0.642399D+00
      3   0.567078D+00  0.358614D+01  0.977335D+00 -0.177680D+01  0.174866D+01
                56            57            58            59            60 
      1  -0.642399D+00  0.174866D+01 -0.104482D+01 -0.243618D+01  0.258326D+00
      2  -0.287586D+01  0.162088D+00 -0.243618D+01 -0.498641D-01  0.552620D+00
      3   0.162088D+00 -0.228289D+01  0.258326D+00  0.552620D+00  0.252959D+00
                61            62            63            64            65 
      1   0.231193D+01  0.281688D+00 -0.350004D+01  0.175699D+01  0.219745D+00
      2   0.281688D+00  0.802637D+00 -0.229319D+00  0.219745D+00 -0.285946D+00
      3  -0.350004D+01 -0.229319D+00  0.209534D+01 -0.108392D+01 -0.989369D-02
                66            67            68            69            70 
      1  -0.108392D+01  0.893930D-01 -0.326941D+00 -0.202903D-01 -0.161283D+01
      2  -0.989369D-02 -0.326941D+00  0.520427D-01 -0.122679D+01  0.739663D-02
      3   0.146178D+01 -0.202903D-01 -0.122679D+01 -0.290048D-01  0.120605D+01
                71            72            73            74            75 
      1   0.739663D-02  0.120605D+01  0.244993D+01  0.218409D+01 -0.540952D+00
      2  -0.157634D+01  0.342139D+00  0.218409D+01  0.256212D+01 -0.160342D+00
      3   0.342139D+00 -0.858941D+01 -0.540952D+00 -0.160342D+00  0.437703D+00
                76            77            78            79            80 
      1   0.302775D+01  0.310497D+01 -0.692286D-01 -0.114405D+01 -0.428284D+00
      2   0.310497D+01  0.726067D+01 -0.551950D+00 -0.428284D+00 -0.137183D+01
      3  -0.692286D-01 -0.551950D+00  0.971116D+00  0.574643D+00  0.118355D+01
                81            82            83            84            85 
      1   0.574643D+00 -0.652648D+00  0.149663D+00  0.959955D+00 -0.231225D+00
      2   0.118355D+01  0.149663D+00  0.203772D+00 -0.195590D+00  0.448994D+00
      3   0.269957D+00  0.959955D+00 -0.195590D+00 -0.110507D+01 -0.651658D-01
                86            87            88            89            90 
      1   0.448994D+00 -0.651658D-01  0.162343D+01 -0.230421D+00  0.421788D+00
      2   0.399423D+00  0.107909D+01 -0.230421D+00  0.120201D+01  0.565484D+00
      3   0.107909D+01 -0.261187D+00  0.421788D+00  0.565484D+00  0.888707D+01
                91            92            93            94            95 
      1   0.636343D+01  0.806078D+00 -0.183725D+00  0.103398D+01  0.112588D+01
      2   0.806078D+00  0.253098D+01  0.228026D+00  0.112588D+01 -0.655783D+00
      3  -0.183725D+00  0.228026D+00  0.627336D+00  0.130473D+00 -0.496919D-01
                96            97            98            99           100 
      1   0.130473D+00 -0.702833D+00  0.145509D+00  0.382717D+00 -0.207212D+01
      2  -0.496919D-01  0.145509D+00 -0.263059D+00 -0.534145D+00  0.750953D+00
      3  -0.506497D+00  0.382717D+00 -0.534145D+00 -0.402293D+00  0.143685D+01
               101           102           103           104           105 
      1   0.750953D+00  0.143685D+01  0.399829D+00  0.528547D-02 -0.116956D+00
      2  -0.571969D+00 -0.402181D+00  0.528547D-02  0.479033D+00  0.183246D+00
      3  -0.402181D+00 -0.201416D+01 -0.116956D+00  0.183246D+00 -0.186868D+00
               106           107           108           109           110 
      1   0.232179D+01 -0.426355D+00 -0.226156D+01 -0.449021D+01  0.180106D+01
      2  -0.426355D+00  0.157354D+01  0.536562D+00  0.180106D+01 -0.103989D+01
      3  -0.226156D+01  0.536562D+00  0.441920D+01 -0.216503D+01  0.795046D+00
               111           112           113           114           115 
      1  -0.216503D+01  0.152676D+01 -0.531441D+00  0.631781D+00 -0.329417D+01
      2   0.795046D+00 -0.531441D+00  0.124884D+01 -0.311949D+00  0.101476D+01
      3  -0.215094D+01  0.631781D+00 -0.311949D+00  0.668301D+00 -0.250570D+01
               116           117           118           119           120 
      1   0.101476D+01 -0.250570D+01  0.770448D+01 -0.165774D+01  0.190950D+01
      2  -0.125450D+01  0.890310D+00 -0.165774D+01  0.141090D+01 -0.343812D+00
      3   0.890310D+00 -0.274626D+01  0.190950D+01 -0.343812D+00  0.166099D+01
               121           122           123           124           125 
      1  -0.121316D+01  0.998133D+00 -0.344108D+00  0.389555D+01 -0.836660D+00
      2   0.998133D+00 -0.886864D+00  0.388143D+00 -0.836660D+00  0.942756D+00
      3  -0.344108D+00  0.388143D+00 -0.234606D+00  0.203881D+01 -0.437227D+00
               126 
      1   0.203881D+01
      2  -0.437227D+00
      3   0.135607D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274199D+01 -0.286331D+01 -0.308529D+01 -0.343065D+01 -0.313672D+01
      2   0.431143D+01  0.357518D+00  0.306962D+01 -0.890036D+00  0.346741D+01
      3   0.353397D+01  0.485912D+01  0.129227D+01  0.784700D+01 -0.239422D+01
                 6             7             8             9            10 
      1  -0.202513D+00 -0.149251D+01  0.275120D+01  0.804904D+01  0.242026D+01
      2   0.832764D+00 -0.240360D+01 -0.441446D+00 -0.843217D+01 -0.145119D+01
      3  -0.111806D+01  0.269573D+01 -0.228876D+01  0.162519D+01 -0.997482D+00
                11            12            13            14            15 
      1  -0.158853D+01 -0.177912D+00 -0.212450D+01 -0.210450D+01 -0.292824D+01
      2  -0.726683D-01  0.132048D+01  0.198392D+00  0.667416D+00  0.171416D+01
      3  -0.374542D+01 -0.104005D+01  0.176126D+01  0.219312D+01  0.913931D+00
                16            17            18            19            20 
      1   0.173276D+01  0.433684D+01 -0.286721D+01 -0.125268D+01  0.750669D+01
      2  -0.462305D+01 -0.318246D+00  0.141947D-01 -0.272573D+01 -0.185036D+01
      3  -0.190638D+01  0.226786D+00 -0.163817D+01 -0.543889D+01  0.302827D+00
                21            22            23            24            25 
      1   0.515829D+00  0.303001D+01  0.443288D+01  0.541020D+01  0.317040D+01
      2  -0.848331D+01 -0.156308D+01 -0.804755D+00  0.221213D+00 -0.112537D+02
      3   0.125436D+01  0.313899D+01 -0.149030D+00 -0.205492D+01  0.170701D+01
                26            27            28            29            30 
      1   0.175589D+02 -0.157290D+01  0.728005D+00 -0.158056D+01 -0.248362D+00
      2  -0.388434D+01  0.498937D+01 -0.180054D+01 -0.309041D+00  0.346360D+01
      3  -0.524481D+01 -0.643838D+00  0.139999D+02  0.300544D+01 -0.537337D+00
                31            32            33            34            35 
      1   0.590816D+00  0.871960D+00 -0.749456D+01 -0.653608D+00 -0.426136D+01
      2  -0.567493D+00  0.115911D+00 -0.174838D+01 -0.202362D+01  0.227580D+01
      3   0.119108D+02 -0.132417D+01 -0.163145D+00 -0.248914D+01  0.914340D+00
                36            37            38            39            40 
      1   0.329970D+00 -0.237055D+01  0.443386D+00  0.131230D+01  0.113714D+01
      2  -0.476583D+00 -0.789771D+01  0.257916D+01  0.116908D+01  0.204059D+01
      3  -0.157011D+01  0.559130D+01 -0.755316D+01 -0.184415D+00  0.505996D+00
                41            42            43            44            45 
      1  -0.895609D+00 -0.446464D+01 -0.135421D+01  0.325446D+01 -0.217517D+01
      2  -0.296659D+01 -0.116167D+01 -0.568681D+01 -0.389761D+00 -0.554624D+01
      3   0.782527D+01  0.227275D+01 -0.295884D+00  0.501983D+01  0.191130D+01
                46            47            48            49            50 
      1  -0.244906D+01  0.145292D+01 -0.815408D+01  0.245565D+01 -0.179420D+01
      2  -0.148579D+01  0.160965D+01 -0.721343D-01  0.935501D+00 -0.109010D+01
      3   0.892414D+01 -0.593155D+01  0.136237D+01  0.509656D+01 -0.970360D+00
                51            52            53            54            55 
      1  -0.604104D+01 -0.976018D+01  0.197234D+01  0.306887D+01  0.227836D+01
      2  -0.810778D+00 -0.682548D+01  0.187266D+01  0.946368D+00 -0.732282D+00
      3  -0.127952D+01  0.216738D+01 -0.196804D+01  0.100502D+02  0.969724D+01
                56            57            58            59            60 
      1  -0.326279D+01 -0.210716D+01 -0.860864D+00 -0.150018D+00 -0.382505D+01
      2   0.173674D-01  0.119636D+02  0.883021D+00 -0.572411D+00  0.148326D+01
      3  -0.125455D+02 -0.110926D+01 -0.439514D-01  0.139916D+01  0.101767D+01
                61            62            63            64            65 
      1  -0.414597D+01 -0.907208D+00  0.226784D+01  0.592344D+00 -0.191137D+00
      2   0.128429D+01  0.184760D+01 -0.411301D+01  0.135401D+01  0.222215D+00
      3  -0.852500D+00  0.397045D+01  0.285300D+01  0.122620D+01 -0.716544D+00
                66            67            68            69            70 
      1  -0.789647D+00  0.223099D+00  0.793135D+00  0.500481D-01 -0.120209D+01
      2   0.647436D+00 -0.261923D+00 -0.104304D+00 -0.649841D-01 -0.274285D+01
      3  -0.621631D+00  0.133915D+01 -0.254588D+00 -0.268753D+00 -0.731998D+00
                71            72            73            74            75 
      1   0.248664D+01  0.529405D+01  0.160538D+01  0.139659D+01 -0.122092D+01
      2   0.399923D+00 -0.361493D-01 -0.107016D+01 -0.107958D+01  0.177322D+01
      3   0.621019D+00  0.350211D+00  0.263533D+00 -0.223179D+01 -0.362465D+00
                76            77            78            79            80 
      1   0.108736D+01  0.317596D+01 -0.355136D+01 -0.513102D+00 -0.103178D+01
      2  -0.658802D+00 -0.147519D+01  0.217689D+01  0.443847D-01  0.152800D+01
      3   0.248941D+01 -0.780489D+01  0.829589D+00 -0.150265D+01  0.161082D+01
                81            82            83            84            85 
      1   0.239993D+00 -0.811954D+00 -0.202000D+00  0.813647D+00  0.216325D+00
      2  -0.910919D-01  0.215361D+01 -0.441791D+00 -0.905456D+00  0.237099D+00
      3  -0.921550D+00 -0.129522D+01 -0.773664D+00  0.958006D+00  0.305394D+00
                86            87            88            89            90 
      1  -0.857054D+00  0.416264D+00 -0.479823D+00  0.321516D+01 -0.826356D+01
      2   0.128324D+01 -0.219923D+00 -0.387406D+01  0.122248D+01  0.115136D+02
      3   0.244323D+00 -0.125946D+01  0.162364D+01 -0.163932D+01 -0.904983D+00
                91            92            93            94            95 
      1  -0.959224D+00 -0.231293D+00  0.207684D+01  0.489635D-01 -0.718481D-01
      2   0.282537D+01  0.909520D+00 -0.851309D+00  0.814673D+00  0.376292D+00
      3  -0.206413D+02 -0.313748D+01  0.308667D+00 -0.381710D+01 -0.956705D+00
                96            97            98            99           100 
      1   0.245476D+00  0.143269D+01  0.891281D+00 -0.416774D+00 -0.336077D+01
      2  -0.103623D+01 -0.233357D+01 -0.252985D+00 -0.235085D+00 -0.781261D+00
      3  -0.334675D+00  0.159176D+01 -0.418033D+00 -0.432597D+00 -0.417671D+01
               101           102           103           104           105 
      1   0.206770D+00  0.499327D+01  0.196077D+00 -0.106146D+01  0.684355D-01
      2   0.726198D+00  0.290787D+01  0.643848D+00  0.295688D+00  0.501348D-01
      3  -0.377064D+00  0.315705D+01  0.689223D+00 -0.372322D+00 -0.928402D-01
               106           107           108           109           110 
      1   0.577705D+01  0.800909D+00 -0.989187D+01  0.447292D+01 -0.998507D+00
      2   0.663399D+00 -0.841107D+00 -0.441100D+01  0.872938D+00 -0.940193D+00
      3   0.543085D+01  0.917299D+00 -0.535020D+01 -0.881032D+01  0.945509D+00
               111           112           113           114           115 
      1   0.502963D+01 -0.166442D+01  0.374395D+00 -0.144865D+01  0.534936D+01
      2   0.297454D+01 -0.638710D+00 -0.572337D-01 -0.700976D+00  0.858811D+00
      3  -0.427041D+01  0.326230D+01 -0.213061D+00  0.147947D+01 -0.682276D+01
               116           117           118           119           120 
      1  -0.102652D+00  0.554786D+01  0.184895D+01 -0.882347D-01  0.104185D+01
      2  -0.834577D+00  0.252301D+01  0.587833D+01 -0.143344D+01  0.538904D+01
      3   0.549945D+00 -0.515455D+01 -0.911312D+00 -0.350706D+01 -0.501388D+00
               121           122           123           124           125 
      1  -0.356033D+00  0.128536D+00 -0.600592D+00  0.117418D+01  0.441628D+00
      2  -0.117307D+01  0.864625D+00 -0.735487D+00  0.472408D+01 -0.121881D+01
      3  -0.293225D+00  0.181227D+01 -0.492065D+00 -0.615061D+00 -0.227152D+01
               126 
      1   0.684091D+00
      2   0.390479D+01
      3  -0.173852D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.390299D+00  0.853833D+00  0.152143D+01  0.975433D+01 -0.481717D+01
      2  -0.374686D+01 -0.201305D+01 -0.377107D+01 -0.134152D+02 -0.111875D+02
      3   0.413716D+01  0.115922D+01  0.224965D+01  0.366091D+01  0.160047D+02
      4   0.453084D+01 -0.109850D+02  0.460550D+01 -0.178282D+02 -0.198371D+02
      5   0.823938D+01  0.727150D+00  0.244932D+01 -0.251643D+01  0.316146D+01
      6   0.411868D+01  0.127636D+01  0.544931D+01  0.317700D+00  0.737175D-01
                 6             7             8             9            10 
      1  -0.823338D+00  0.614789D+01 -0.516097D+00  0.132115D+02 -0.505757D+01
      2   0.396889D+01 -0.232362D+01  0.311472D+01  0.702568D+01  0.614519D+01
      3  -0.314555D+01 -0.382427D+01 -0.259863D+01 -0.202371D+02 -0.108761D+01
      4   0.368982D+01  0.255362D+01  0.590943D+01  0.469124D+00 -0.315275D+00
      5   0.256044D+01  0.245321D+01  0.499395D+00 -0.140482D+02 -0.312097D+01
      6  -0.160167D+01  0.264628D+01  0.926765D+00 -0.916918D+01 -0.328131D+01
                11            12            13            14            15 
      1  -0.736191D+01 -0.373606D+01  0.423817D+00  0.798481D+00  0.934822D+00
      2   0.127423D+02  0.931000D+00  0.333351D+01 -0.116658D+01  0.394995D+00
      3  -0.538042D+01  0.280506D+01 -0.375732D+01  0.368103D+00 -0.132982D+01
      4  -0.191861D+01 -0.286578D+01 -0.164847D+01  0.432258D+01  0.861197D-01
      5  -0.528745D+00 -0.223870D+01  0.703264D+00  0.769243D+00  0.277379D+01
      6  -0.493036D+00 -0.173587D+00  0.333136D+00  0.142323D+01 -0.257987D+00
                16            17            18            19            20 
      1  -0.543010D+01  0.103373D+01  0.904067D+01 -0.316430D+02 -0.591035D+01
      2  -0.742818D+00 -0.488088D+01  0.837802D+01  0.178176D+02  0.520937D+01
      3   0.617292D+01  0.384715D+01 -0.174187D+02  0.138255D+02  0.700977D+00
      4  -0.387802D+01 -0.109035D+01 -0.395107D+01 -0.113165D+02 -0.114953D+02
      5  -0.761465D+00 -0.143256D+01  0.524190D+01  0.590488D+01 -0.477138D-01
      6  -0.455337D+01  0.695164D-01  0.761243D+01  0.254129D+01  0.188765D+01
                21            22            23            24            25 
      1   0.536163D+00 -0.967087D+00  0.862034D+01  0.351218D+00  0.827542D+01
      2  -0.480482D+01  0.188753D+01 -0.136487D+02 -0.158701D+01 -0.558050D+01
      3   0.426865D+01 -0.920446D+00  0.502841D+01  0.123579D+01 -0.269492D+01
      4   0.219003D+01 -0.253267D+01  0.712317D+01 -0.121489D+01  0.443927D+01
      5  -0.128863D+02 -0.631440D+00 -0.130667D+01  0.185112D+01  0.147123D+01
      6   0.810552D+00 -0.121715D+01 -0.300629D+01 -0.666103D+01 -0.139124D+01
                26            27            28            29            30 
      1  -0.136545D+01 -0.717741D+01 -0.244756D+01 -0.148731D+01 -0.847772D+00
      2   0.385422D+00 -0.363213D+01  0.728117D+01  0.312528D+00  0.844176D+00
      3   0.980031D+00  0.108095D+02 -0.483361D+01  0.117479D+01  0.359587D-02
      4   0.431457D+01 -0.662608D+00  0.490817D+01  0.157661D+02 -0.589334D+00
      5  -0.104976D+01  0.707730D+01 -0.342739D+00  0.183554D+00  0.614680D+01
      6   0.145512D+01  0.166734D+01 -0.146369D+01 -0.291676D+00 -0.126847D+01
                31            32            33            34            35 
      1  -0.105066D+01 -0.268349D+02 -0.182477D+01  0.793377D-01  0.216408D+00
      2  -0.178019D+01  0.398956D+02  0.154849D+01  0.607133D+00  0.981584D-01
      3   0.283085D+01 -0.130606D+02  0.276286D+00 -0.686470D+00 -0.314566D+00
      4   0.108415D+02 -0.438100D+00  0.116145D+01 -0.153663D+01 -0.644855D+00
      5   0.495374D+00  0.137904D+01 -0.187178D+01  0.346974D+01  0.128225D+01
      6   0.823567D+00  0.427175D+01  0.144082D+02 -0.251378D+01  0.132573D+02
                36            37            38            39            40 
      1  -0.880117D+01 -0.228255D+01 -0.787983D+00 -0.124313D+02 -0.792449D+01
      2   0.514896D+01  0.450328D+00 -0.198712D+01  0.879245D+01  0.541500D+01
      3   0.365221D+01  0.183223D+01  0.277510D+01  0.363881D+01  0.250950D+01
      4   0.321683D+00 -0.120534D+01  0.628265D+01  0.266699D+01  0.110392D+02
      5   0.210635D+00 -0.169377D+02  0.324595D+01  0.245977D+01  0.325515D+01
      6   0.160572D+01  0.224338D+01 -0.106546D+01 -0.156684D+01 -0.110501D+01
                41            42            43            44            45 
      1   0.713813D+00  0.677804D+00 -0.245367D+02  0.467328D+01 -0.537030D+01
      2   0.724822D+01 -0.153928D+01  0.149719D+02 -0.134298D+01 -0.209154D+01
      3  -0.796203D+01  0.861481D+00  0.956480D+01 -0.333031D+01  0.746184D+01
      4  -0.739070D+01 -0.426600D+01  0.645860D+01 -0.572295D+01 -0.159249D+01
      5  -0.496895D+01 -0.266262D+01  0.187576D+01 -0.333458D+01 -0.110571D+02
      6   0.867298D+00  0.601742D+01  0.839508D+00  0.362393D+01  0.278896D+01
                46            47            48            49            50 
      1  -0.251074D+01  0.738831D+01 -0.861416D+00  0.322084D+01 -0.137649D+02
      2   0.436921D+01 -0.114682D+02 -0.158796D+01 -0.720053D+01  0.280800D+02
      3  -0.185847D+01  0.407992D+01  0.244937D+01  0.397969D+01 -0.143151D+02
      4   0.125846D+02  0.452247D+01  0.377758D+01  0.974803D+01 -0.152346D+02
      5  -0.393185D+01  0.256604D+01 -0.700033D+01  0.140096D+01 -0.854329D+00
      6   0.473942D+01 -0.216645D+01  0.133785D+02 -0.288524D+01 -0.297288D+00
                51            52            53            54            55 
      1   0.115998D+01  0.300044D+00  0.117260D+01 -0.126535D+02  0.667543D+02
      2   0.607148D+00 -0.255496D+01  0.668634D+00  0.102093D+02 -0.400207D+02
      3  -0.176713D+01  0.225492D+01 -0.184124D+01  0.244419D+01 -0.267336D+02
      4  -0.266756D+01  0.484690D+01 -0.258599D+01  0.123145D+02  0.218875D+02
      5  -0.231970D+01 -0.688743D+01  0.241165D+01  0.188794D+01 -0.882482D+01
      6   0.762680D+01  0.155015D+02  0.964840D+01 -0.451458D+01 -0.233481D+01
                56            57            58            59            60 
      1   0.267798D+01 -0.426249D+01  0.220125D+01  0.425646D+01  0.481113D+00
      2   0.219533D+01  0.607561D+01  0.132460D+01  0.242852D+01 -0.143713D+00
      3  -0.487331D+01 -0.181312D+01 -0.352585D+01 -0.668498D+01 -0.337400D+00
      4   0.180416D+02 -0.208164D+01  0.170619D+02  0.631188D+01 -0.229078D+01
      5  -0.547123D+00  0.204889D+02 -0.228914D+00 -0.199299D+01  0.149830D+01
      6  -0.455382D+00  0.378586D+01 -0.149384D+01 -0.989892D+00  0.576956D+01
                61            62            63            64            65 
      1  -0.655528D+01  0.923545D+00  0.813070D+01  0.292294D-01  0.546013D+00
      2   0.688238D+01 -0.559951D+00 -0.105678D+02 -0.427572D+01 -0.501799D+00
      3  -0.327101D+00 -0.363595D+00  0.243713D+01  0.424649D+01 -0.442145D-01
      4  -0.253852D+01 -0.348517D+01  0.534418D+01  0.147869D+01  0.202461D+01
      5   0.196653D+02  0.215262D+01 -0.104084D+02 -0.178102D+01  0.237256D-01
      6   0.643915D+01  0.573488D+01 -0.379332D+01 -0.118597D+01 -0.951780D+00
                66            67            68            69            70 
      1   0.143881D+01 -0.310171D-01 -0.332548D+01  0.702274D+00  0.177611D+01
      2   0.188512D+01  0.661131D+00  0.625600D+00 -0.246339D+01  0.303807D+01
      3  -0.332393D+01 -0.630114D+00  0.269988D+01  0.176112D+01 -0.481417D+01
      4  -0.108098D+01  0.224407D+01  0.649027D+00 -0.337731D+00 -0.122313D+01
      5   0.717434D+01  0.146609D+00 -0.117710D+01 -0.211247D+00  0.489643D+01
      6   0.154178D+01 -0.107155D+01 -0.167728D+01  0.582678D+01  0.194616D+01
                71            72            73            74            75 
      1   0.228820D+01 -0.177701D+02  0.774058D+01  0.439245D+01 -0.142047D+01
      2  -0.135394D+01 -0.157195D+02  0.158668D+01  0.366246D+01  0.309129D-01
      3  -0.934256D+00  0.334897D+02 -0.932726D+01 -0.805491D+01  0.138956D+01
      4   0.780002D+00  0.135484D+01  0.142744D+02  0.165081D+02 -0.160717D+01
      5   0.471357D+00 -0.486556D+01 -0.807827D+00 -0.526908D-01  0.274022D+01
      6   0.508792D+01 -0.105300D+02 -0.561373D+00  0.271421D+00  0.168757D+01
                76            77            78            79            80 
      1   0.415981D+01 -0.569474D+01  0.379954D+00 -0.267756D+01  0.450171D+00
      2   0.579057D+01  0.236307D+02 -0.243487D+01  0.245630D+00 -0.331266D+01
      3  -0.995038D+01 -0.179359D+02  0.205492D+01  0.243193D+01  0.286249D+01
      4   0.189043D+02  0.313629D+02 -0.218213D+01 -0.352527D+01 -0.525454D+01
      5   0.570188D+00 -0.789412D+00  0.361026D+01  0.330038D+01  0.442550D+01
      6   0.811514D+00  0.716164D+00  0.466528D+01  0.242583D+01  0.545604D+01
                81            82            83            84            85 
      1  -0.250133D+01 -0.186156D+01  0.614061D+00  0.478186D+01 -0.157202D+01
      2   0.120854D+01 -0.121749D+01  0.566305D+00 -0.115184D+01  0.201596D+01
      3   0.129278D+01  0.307905D+01 -0.118037D+01 -0.363003D+01 -0.443941D+00
      4   0.511233D+01 -0.942024D-01  0.272424D+01  0.722496D+00  0.279497D+01
      5  -0.307077D+00  0.129068D+01 -0.273695D-02  0.366363D+01 -0.242748D+00
      6  -0.739934D+00  0.898391D+00 -0.103798D+01 -0.193475D+01  0.222242D+00
                86            87            88            89            90 
      1  -0.239477D+01 -0.100101D+01  0.452997D+01 -0.304531D+01 -0.192232D+02
      2   0.667933D+00  0.215194D+01 -0.325955D+01  0.179737D+01 -0.148481D+02
      3   0.172683D+01 -0.115093D+01 -0.127042D+01  0.124795D+01  0.340713D+02
      4   0.213807D+01  0.222592D+01  0.149587D+01  0.251582D+01  0.233797D+01
      5   0.209663D+01 -0.108433D+01  0.594381D+01  0.139847D+01  0.200141D+02
      6   0.134360D+01  0.524345D+01  0.330390D+00  0.538312D+01  0.117218D+02
                91            92            93            94            95 
      1   0.393912D+01  0.906582D+01  0.148470D+01  0.221860D+01  0.126048D+01
      2  -0.389872D+01 -0.107770D+02 -0.665570D+00 -0.396598D+01 -0.374794D-01
      3  -0.404032D-01  0.171118D+01 -0.819135D+00  0.174738D+01 -0.122301D+01
      4  -0.113892D+02 -0.891739D+00  0.126021D+01  0.323989D+00 -0.483613D+01
      5   0.386813D+00  0.510027D+00 -0.134931D+01  0.581444D+00  0.663813D-01
      6   0.201872D+01 -0.991966D+00 -0.322899D+01 -0.279652D+00  0.159602D+00
                96            97            98            99           100 
      1   0.382019D+00  0.114175D+00 -0.482461D+00 -0.114240D+01  0.537565D+01
      2  -0.876456D-02  0.183597D-01  0.427474D+00 -0.157133D+00 -0.267885D+01
      3  -0.373255D+00 -0.132535D+00  0.549868D-01  0.129954D+01 -0.269680D+01
      4  -0.275765D+00  0.174722D+01 -0.341174D-02 -0.125205D+01 -0.883589D+01
      5  -0.187994D+01  0.130775D+01 -0.415559D+00 -0.847353D+00 -0.545308D+01
      6   0.274329D+00 -0.155251D+01  0.237440D+01  0.100380D+01  0.526561D+01
               101           102           103           104           105 
      1  -0.129467D+01 -0.251792D+01 -0.173235D+01 -0.215840D+01  0.413215D+00
      2  -0.109701D+00  0.215696D+01  0.124856D+01  0.321607D+01  0.811245D+00
      3   0.140437D+01  0.360958D+00  0.483786D+00 -0.105767D+01 -0.122446D+01
      4   0.529165D+01  0.532381D+01  0.234173D+01  0.198193D+00 -0.151066D+01
      5   0.145356D+01  0.809680D+01  0.245335D+00 -0.101326D+01 -0.603336D-02
      6  -0.184117D+01 -0.823507D+01 -0.122917D+01 -0.869695D-01  0.147011D+01
               106           107           108           109           110 
      1  -0.374293D+01 -0.265257D+01  0.101879D+01  0.105845D+02 -0.268508D+01
      2   0.408349D+01  0.438480D+01 -0.650857D+01 -0.345469D+01 -0.885079D+00
      3  -0.340559D+00 -0.173223D+01  0.548978D+01 -0.712985D+01  0.357016D+01
      4   0.764314D+01 -0.337312D+01 -0.760793D+01 -0.189779D+02  0.104039D+02
      5   0.779789D+01 -0.197577D+01 -0.120928D+02  0.104953D+02 -0.409593D+01
      6  -0.877883D+01  0.268673D+01  0.156690D+02 -0.984580D+01  0.459907D+01
               111           112           113           114           115 
      1   0.412473D+01 -0.230241D+01 -0.268176D+01 -0.926686D+00  0.376515D+01
      2  -0.192811D+01 -0.276096D+00  0.527738D+01 -0.854957D+00 -0.275159D+01
      3  -0.219662D+01  0.257851D+01 -0.259561D+01  0.178164D+01 -0.101356D+01
      4  -0.900063D+01  0.752745D+01 -0.276292D+01  0.389062D+01 -0.116522D+02
      5   0.967839D+01 -0.193501D+01  0.198425D+01 -0.113355D+01  0.103316D+02
      6  -0.912307D+01  0.409386D+01 -0.138321D+01  0.423744D+01 -0.108397D+02
               116           117           118           119           120 
      1   0.101088D+01  0.175647D+01  0.429403D+02 -0.858421D+01  0.107278D+02
      2  -0.248912D+01 -0.405809D+01 -0.239424D+02  0.434018D+01 -0.607593D+01
      3   0.147825D+01  0.230162D+01 -0.189979D+02  0.424402D+01 -0.465187D+01
      4   0.500826D+01 -0.967336D+01 -0.945975D+01  0.653286D+01 -0.272860D+01
      5  -0.371677D+01  0.966243D+01  0.137866D+02 -0.284261D+01  0.930094D+01
      6   0.538591D+01 -0.110718D+02 -0.315254D+01  0.126040D+01 -0.112281D+01
               121           122           123           124           125 
      1  -0.511209D+01  0.415090D+01 -0.130157D+01  0.186854D+02 -0.410190D+01
      2   0.238814D+01 -0.128616D+01  0.339235D+00 -0.119030D+02  0.266797D+01
      3   0.272396D+01 -0.286474D+01  0.962333D+00 -0.678245D+01  0.143393D+01
      4   0.756012D+01 -0.353606D+01  0.259517D+01 -0.483085D+01  0.363231D+01
      5  -0.184378D+01  0.264569D+01 -0.112471D+01  0.135136D+02 -0.264603D+01
      6   0.158317D+01 -0.821964D+00  0.170578D+01 -0.242916D+01  0.171758D+01
               126 
      1   0.899835D+01
      2  -0.687053D+01
      3  -0.212783D+01
      4  -0.251513D+01
      5   0.843578D+01
      6  -0.165784D+01
 Leave Link  716 at Thu Aug 12 21:13:27 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683778D+02 -0.192979D+01 -0.109642D+01
      2  -0.192979D+01  0.628076D+02  0.592465D+00
      3  -0.109642D+01  0.592465D+00  0.487245D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.364723D+01 -0.173131D+01 -0.174539D+02
      2   0.488979D+01  0.124638D+01  0.374206D+01
      3   0.106051D+02  0.267753D-01  0.162063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.145325D+00 -0.242934D+02  0.913468D+01
      2   0.221721D+01  0.394166D+02 -0.811214D+01
      3  -0.236253D+01 -0.151231D+02 -0.102254D+01
      4   0.162721D+02  0.266937D+01  0.744253D+01
      5   0.123539D+02  0.389632D+01  0.754281D+01
      6   0.688932D+01 -0.169417D+01  0.315420D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.307856D+01  0.831113D+00  0.186047D+01  0.353235D+00 -0.471484D+01
      2   0.831113D+00 -0.269291D+01  0.264281D+00 -0.471484D+01 -0.391729D+01
      3   0.186047D+01  0.264281D+00  0.183249D+01  0.780844D-02  0.125374D+01
                 6             7             8             9            10 
      1   0.780844D-02  0.270028D+01  0.119138D+00  0.100274D+01 -0.436321D+01
      2   0.125374D+01  0.119138D+00  0.208075D+01 -0.213835D+00  0.206065D+00
      3  -0.107563D+00  0.100274D+01 -0.213835D+00 -0.739336D+01 -0.115549D+01
                11            12            13            14            15 
      1   0.206065D+00 -0.115549D+01 -0.123757D+01  0.349506D+01  0.202100D+00
      2   0.395639D+01  0.239006D-01  0.349506D+01  0.422767D+01 -0.271233D+00
      3   0.239006D-01 -0.196312D+01  0.202100D+00 -0.271233D+00  0.536632D+00
                16            17            18            19            20 
      1  -0.147280D+01 -0.168401D-01 -0.205192D+01  0.714466D+01 -0.605078D-01
      2  -0.168401D-01 -0.130210D+01  0.203424D-01 -0.605078D-01 -0.202030D+01
      3  -0.205192D+01  0.203424D-01  0.687704D+01 -0.131990D+01 -0.340979D+00
                21            22            23            24            25 
      1  -0.131990D+01  0.934011D-01 -0.289110D+01 -0.294138D+00 -0.174621D+01
      2  -0.340979D+00 -0.289110D+01 -0.266608D+01  0.292721D+00 -0.257057D+00
      3   0.749874D+00 -0.294138D+00  0.292721D+00 -0.768963D+00  0.783881D+00
                26            27            28            29            30 
      1  -0.257057D+00  0.783881D+00 -0.406454D+01 -0.297427D+01  0.253058D+00
      2   0.666950D+00 -0.464696D+00 -0.297427D+01 -0.307747D+00 -0.119731D+00
      3  -0.464696D+00 -0.113752D+01  0.253058D+00 -0.119731D+00  0.111420D+00
                31            32            33            34            35 
      1  -0.153492D+01  0.165881D+01 -0.687935D-01  0.760728D+00  0.354240D-01
      2   0.165881D+01 -0.797845D+01 -0.478683D+00  0.354240D-01  0.113446D+00
      3  -0.687935D-01 -0.478683D+00 -0.970845D+00  0.597403D+00 -0.191025D+01
                36            37            38            39            40 
      1   0.597403D+00 -0.200475D+01 -0.128373D+01 -0.272387D+01 -0.180380D+01
      2  -0.191025D+01 -0.128373D+01  0.261289D-01  0.415787D+00  0.220659D+01
      3  -0.314347D+00 -0.272387D+01  0.415787D+00 -0.108598D+01  0.363460D+00
                41            42            43            44            45 
      1   0.220659D+01  0.363460D+00 -0.512431D+01  0.127021D+01 -0.274953D+00
      2  -0.240327D+01 -0.102118D+01  0.127021D+01 -0.159833D+01 -0.726248D+00
      3  -0.102118D+01  0.694477D-01 -0.274953D+00 -0.726248D+00 -0.154468D+01
                46            47            48            49            50 
      1   0.328786D+01 -0.330127D+00  0.100439D+01  0.541142D+00 -0.214322D+01
      2  -0.330127D+00 -0.895666D+00 -0.316600D+00 -0.214322D+01  0.488992D+01
      3   0.100439D+01 -0.316600D+00  0.372057D+01 -0.615270D+00  0.161917D+00
                51            52            53            54            55 
      1  -0.615270D+00  0.148350D+01 -0.678507D+00  0.358614D+01 -0.141384D+02
      2   0.161917D+00 -0.678507D+00 -0.159072D-01  0.977335D+00 -0.642399D+00
      3   0.567078D+00  0.358614D+01  0.977335D+00 -0.177680D+01  0.174866D+01
                56            57            58            59            60 
      1  -0.642399D+00  0.174866D+01 -0.104482D+01 -0.243618D+01  0.258326D+00
      2  -0.287586D+01  0.162088D+00 -0.243618D+01 -0.498641D-01  0.552620D+00
      3   0.162088D+00 -0.228289D+01  0.258326D+00  0.552620D+00  0.252959D+00
                61            62            63            64            65 
      1   0.231193D+01  0.281688D+00 -0.350004D+01  0.175699D+01  0.219745D+00
      2   0.281688D+00  0.802637D+00 -0.229319D+00  0.219745D+00 -0.285946D+00
      3  -0.350004D+01 -0.229319D+00  0.209534D+01 -0.108392D+01 -0.989369D-02
                66            67            68            69            70 
      1  -0.108392D+01  0.893930D-01 -0.326941D+00 -0.202903D-01 -0.161283D+01
      2  -0.989369D-02 -0.326941D+00  0.520427D-01 -0.122679D+01  0.739663D-02
      3   0.146178D+01 -0.202903D-01 -0.122679D+01 -0.290048D-01  0.120605D+01
                71            72            73            74            75 
      1   0.739663D-02  0.120605D+01  0.244993D+01  0.218409D+01 -0.540952D+00
      2  -0.157634D+01  0.342139D+00  0.218409D+01  0.256212D+01 -0.160342D+00
      3   0.342139D+00 -0.858941D+01 -0.540952D+00 -0.160342D+00  0.437703D+00
                76            77            78            79            80 
      1   0.302775D+01  0.310497D+01 -0.692286D-01 -0.114405D+01 -0.428284D+00
      2   0.310497D+01  0.726067D+01 -0.551950D+00 -0.428284D+00 -0.137183D+01
      3  -0.692286D-01 -0.551950D+00  0.971116D+00  0.574643D+00  0.118355D+01
                81            82            83            84            85 
      1   0.574643D+00 -0.652648D+00  0.149663D+00  0.959955D+00 -0.231225D+00
      2   0.118355D+01  0.149663D+00  0.203772D+00 -0.195590D+00  0.448994D+00
      3   0.269957D+00  0.959955D+00 -0.195590D+00 -0.110507D+01 -0.651658D-01
                86            87            88            89            90 
      1   0.448994D+00 -0.651658D-01  0.162343D+01 -0.230421D+00  0.421788D+00
      2   0.399423D+00  0.107909D+01 -0.230421D+00  0.120201D+01  0.565484D+00
      3   0.107909D+01 -0.261187D+00  0.421788D+00  0.565484D+00  0.888707D+01
                91            92            93            94            95 
      1   0.636343D+01  0.806078D+00 -0.183725D+00  0.103398D+01  0.112588D+01
      2   0.806078D+00  0.253098D+01  0.228026D+00  0.112588D+01 -0.655783D+00
      3  -0.183725D+00  0.228026D+00  0.627336D+00  0.130473D+00 -0.496919D-01
                96            97            98            99           100 
      1   0.130473D+00 -0.702833D+00  0.145509D+00  0.382717D+00 -0.207212D+01
      2  -0.496919D-01  0.145509D+00 -0.263059D+00 -0.534145D+00  0.750953D+00
      3  -0.506497D+00  0.382717D+00 -0.534145D+00 -0.402293D+00  0.143685D+01
               101           102           103           104           105 
      1   0.750953D+00  0.143685D+01  0.399829D+00  0.528547D-02 -0.116956D+00
      2  -0.571969D+00 -0.402181D+00  0.528547D-02  0.479033D+00  0.183246D+00
      3  -0.402181D+00 -0.201416D+01 -0.116956D+00  0.183246D+00 -0.186868D+00
               106           107           108           109           110 
      1   0.232179D+01 -0.426355D+00 -0.226156D+01 -0.449021D+01  0.180106D+01
      2  -0.426355D+00  0.157354D+01  0.536562D+00  0.180106D+01 -0.103989D+01
      3  -0.226156D+01  0.536562D+00  0.441920D+01 -0.216503D+01  0.795046D+00
               111           112           113           114           115 
      1  -0.216503D+01  0.152676D+01 -0.531441D+00  0.631781D+00 -0.329417D+01
      2   0.795046D+00 -0.531441D+00  0.124884D+01 -0.311949D+00  0.101476D+01
      3  -0.215094D+01  0.631781D+00 -0.311949D+00  0.668301D+00 -0.250570D+01
               116           117           118           119           120 
      1   0.101476D+01 -0.250570D+01  0.770448D+01 -0.165774D+01  0.190950D+01
      2  -0.125450D+01  0.890310D+00 -0.165774D+01  0.141090D+01 -0.343812D+00
      3   0.890310D+00 -0.274626D+01  0.190950D+01 -0.343812D+00  0.166099D+01
               121           122           123           124           125 
      1  -0.121316D+01  0.998133D+00 -0.344108D+00  0.389555D+01 -0.836660D+00
      2   0.998133D+00 -0.886864D+00  0.388143D+00 -0.836660D+00  0.942756D+00
      3  -0.344108D+00  0.388143D+00 -0.234606D+00  0.203881D+01 -0.437227D+00
               126 
      1   0.203881D+01
      2  -0.437227D+00
      3   0.135607D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274199D+01 -0.286331D+01 -0.308529D+01 -0.343065D+01 -0.313672D+01
      2   0.431143D+01  0.357518D+00  0.306962D+01 -0.890036D+00  0.346741D+01
      3   0.353397D+01  0.485912D+01  0.129227D+01  0.784700D+01 -0.239422D+01
                 6             7             8             9            10 
      1  -0.202513D+00 -0.149251D+01  0.275120D+01  0.804904D+01  0.242026D+01
      2   0.832764D+00 -0.240360D+01 -0.441446D+00 -0.843217D+01 -0.145119D+01
      3  -0.111806D+01  0.269573D+01 -0.228876D+01  0.162519D+01 -0.997482D+00
                11            12            13            14            15 
      1  -0.158853D+01 -0.177912D+00 -0.212450D+01 -0.210450D+01 -0.292824D+01
      2  -0.726683D-01  0.132048D+01  0.198392D+00  0.667416D+00  0.171416D+01
      3  -0.374542D+01 -0.104005D+01  0.176126D+01  0.219312D+01  0.913931D+00
                16            17            18            19            20 
      1   0.173276D+01  0.433684D+01 -0.286721D+01 -0.125268D+01  0.750669D+01
      2  -0.462305D+01 -0.318246D+00  0.141947D-01 -0.272573D+01 -0.185036D+01
      3  -0.190638D+01  0.226786D+00 -0.163817D+01 -0.543889D+01  0.302827D+00
                21            22            23            24            25 
      1   0.515829D+00  0.303001D+01  0.443288D+01  0.541020D+01  0.317040D+01
      2  -0.848331D+01 -0.156308D+01 -0.804755D+00  0.221213D+00 -0.112537D+02
      3   0.125436D+01  0.313899D+01 -0.149030D+00 -0.205492D+01  0.170701D+01
                26            27            28            29            30 
      1   0.175589D+02 -0.157290D+01  0.728005D+00 -0.158056D+01 -0.248362D+00
      2  -0.388434D+01  0.498937D+01 -0.180054D+01 -0.309041D+00  0.346360D+01
      3  -0.524481D+01 -0.643838D+00  0.139999D+02  0.300544D+01 -0.537337D+00
                31            32            33            34            35 
      1   0.590816D+00  0.871960D+00 -0.749456D+01 -0.653608D+00 -0.426136D+01
      2  -0.567493D+00  0.115911D+00 -0.174838D+01 -0.202362D+01  0.227580D+01
      3   0.119108D+02 -0.132417D+01 -0.163145D+00 -0.248914D+01  0.914340D+00
                36            37            38            39            40 
      1   0.329970D+00 -0.237055D+01  0.443386D+00  0.131230D+01  0.113714D+01
      2  -0.476583D+00 -0.789771D+01  0.257916D+01  0.116908D+01  0.204059D+01
      3  -0.157011D+01  0.559130D+01 -0.755316D+01 -0.184415D+00  0.505996D+00
                41            42            43            44            45 
      1  -0.895609D+00 -0.446464D+01 -0.135421D+01  0.325446D+01 -0.217517D+01
      2  -0.296659D+01 -0.116167D+01 -0.568681D+01 -0.389761D+00 -0.554624D+01
      3   0.782527D+01  0.227275D+01 -0.295884D+00  0.501983D+01  0.191130D+01
                46            47            48            49            50 
      1  -0.244906D+01  0.145292D+01 -0.815408D+01  0.245565D+01 -0.179420D+01
      2  -0.148579D+01  0.160965D+01 -0.721343D-01  0.935501D+00 -0.109010D+01
      3   0.892414D+01 -0.593155D+01  0.136237D+01  0.509656D+01 -0.970360D+00
                51            52            53            54            55 
      1  -0.604104D+01 -0.976018D+01  0.197234D+01  0.306887D+01  0.227836D+01
      2  -0.810778D+00 -0.682548D+01  0.187266D+01  0.946368D+00 -0.732282D+00
      3  -0.127952D+01  0.216738D+01 -0.196804D+01  0.100502D+02  0.969724D+01
                56            57            58            59            60 
      1  -0.326279D+01 -0.210716D+01 -0.860864D+00 -0.150018D+00 -0.382505D+01
      2   0.173674D-01  0.119636D+02  0.883021D+00 -0.572411D+00  0.148326D+01
      3  -0.125455D+02 -0.110926D+01 -0.439514D-01  0.139916D+01  0.101767D+01
                61            62            63            64            65 
      1  -0.414597D+01 -0.907208D+00  0.226784D+01  0.592344D+00 -0.191137D+00
      2   0.128429D+01  0.184760D+01 -0.411301D+01  0.135401D+01  0.222215D+00
      3  -0.852500D+00  0.397045D+01  0.285300D+01  0.122620D+01 -0.716544D+00
                66            67            68            69            70 
      1  -0.789647D+00  0.223099D+00  0.793135D+00  0.500481D-01 -0.120209D+01
      2   0.647436D+00 -0.261923D+00 -0.104304D+00 -0.649841D-01 -0.274285D+01
      3  -0.621631D+00  0.133915D+01 -0.254588D+00 -0.268753D+00 -0.731998D+00
                71            72            73            74            75 
      1   0.248664D+01  0.529405D+01  0.160538D+01  0.139659D+01 -0.122092D+01
      2   0.399923D+00 -0.361493D-01 -0.107016D+01 -0.107958D+01  0.177322D+01
      3   0.621019D+00  0.350211D+00  0.263533D+00 -0.223179D+01 -0.362465D+00
                76            77            78            79            80 
      1   0.108736D+01  0.317596D+01 -0.355136D+01 -0.513102D+00 -0.103178D+01
      2  -0.658802D+00 -0.147519D+01  0.217689D+01  0.443847D-01  0.152800D+01
      3   0.248941D+01 -0.780489D+01  0.829589D+00 -0.150265D+01  0.161082D+01
                81            82            83            84            85 
      1   0.239993D+00 -0.811954D+00 -0.202000D+00  0.813647D+00  0.216325D+00
      2  -0.910919D-01  0.215361D+01 -0.441791D+00 -0.905456D+00  0.237099D+00
      3  -0.921550D+00 -0.129522D+01 -0.773664D+00  0.958006D+00  0.305394D+00
                86            87            88            89            90 
      1  -0.857054D+00  0.416264D+00 -0.479823D+00  0.321516D+01 -0.826356D+01
      2   0.128324D+01 -0.219923D+00 -0.387406D+01  0.122248D+01  0.115136D+02
      3   0.244323D+00 -0.125946D+01  0.162364D+01 -0.163932D+01 -0.904983D+00
                91            92            93            94            95 
      1  -0.959224D+00 -0.231293D+00  0.207684D+01  0.489635D-01 -0.718481D-01
      2   0.282537D+01  0.909520D+00 -0.851309D+00  0.814673D+00  0.376292D+00
      3  -0.206413D+02 -0.313748D+01  0.308667D+00 -0.381710D+01 -0.956705D+00
                96            97            98            99           100 
      1   0.245476D+00  0.143269D+01  0.891281D+00 -0.416774D+00 -0.336077D+01
      2  -0.103623D+01 -0.233357D+01 -0.252985D+00 -0.235085D+00 -0.781261D+00
      3  -0.334675D+00  0.159176D+01 -0.418033D+00 -0.432597D+00 -0.417671D+01
               101           102           103           104           105 
      1   0.206770D+00  0.499327D+01  0.196077D+00 -0.106146D+01  0.684355D-01
      2   0.726198D+00  0.290787D+01  0.643848D+00  0.295688D+00  0.501348D-01
      3  -0.377064D+00  0.315705D+01  0.689223D+00 -0.372322D+00 -0.928402D-01
               106           107           108           109           110 
      1   0.577705D+01  0.800909D+00 -0.989187D+01  0.447292D+01 -0.998507D+00
      2   0.663399D+00 -0.841107D+00 -0.441100D+01  0.872938D+00 -0.940193D+00
      3   0.543085D+01  0.917299D+00 -0.535020D+01 -0.881032D+01  0.945509D+00
               111           112           113           114           115 
      1   0.502963D+01 -0.166442D+01  0.374395D+00 -0.144865D+01  0.534936D+01
      2   0.297454D+01 -0.638710D+00 -0.572337D-01 -0.700976D+00  0.858811D+00
      3  -0.427041D+01  0.326230D+01 -0.213061D+00  0.147947D+01 -0.682276D+01
               116           117           118           119           120 
      1  -0.102652D+00  0.554786D+01  0.184895D+01 -0.882347D-01  0.104185D+01
      2  -0.834577D+00  0.252301D+01  0.587833D+01 -0.143344D+01  0.538904D+01
      3   0.549945D+00 -0.515455D+01 -0.911312D+00 -0.350706D+01 -0.501388D+00
               121           122           123           124           125 
      1  -0.356033D+00  0.128536D+00 -0.600592D+00  0.117418D+01  0.441628D+00
      2  -0.117307D+01  0.864625D+00 -0.735487D+00  0.472408D+01 -0.121881D+01
      3  -0.293225D+00  0.181227D+01 -0.492065D+00 -0.615061D+00 -0.227152D+01
               126 
      1   0.684091D+00
      2   0.390479D+01
      3  -0.173852D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.390299D+00  0.853833D+00  0.152143D+01  0.975433D+01 -0.481717D+01
      2  -0.374686D+01 -0.201305D+01 -0.377107D+01 -0.134152D+02 -0.111875D+02
      3   0.413716D+01  0.115922D+01  0.224965D+01  0.366091D+01  0.160047D+02
      4   0.453084D+01 -0.109850D+02  0.460550D+01 -0.178282D+02 -0.198371D+02
      5   0.823938D+01  0.727150D+00  0.244932D+01 -0.251643D+01  0.316146D+01
      6   0.411868D+01  0.127636D+01  0.544931D+01  0.317700D+00  0.737175D-01
                 6             7             8             9            10 
      1  -0.823338D+00  0.614789D+01 -0.516097D+00  0.132115D+02 -0.505757D+01
      2   0.396889D+01 -0.232362D+01  0.311472D+01  0.702568D+01  0.614519D+01
      3  -0.314555D+01 -0.382427D+01 -0.259863D+01 -0.202371D+02 -0.108761D+01
      4   0.368982D+01  0.255362D+01  0.590943D+01  0.469124D+00 -0.315275D+00
      5   0.256044D+01  0.245321D+01  0.499395D+00 -0.140482D+02 -0.312097D+01
      6  -0.160167D+01  0.264628D+01  0.926765D+00 -0.916918D+01 -0.328131D+01
                11            12            13            14            15 
      1  -0.736191D+01 -0.373606D+01  0.423817D+00  0.798481D+00  0.934822D+00
      2   0.127423D+02  0.931000D+00  0.333351D+01 -0.116658D+01  0.394995D+00
      3  -0.538042D+01  0.280506D+01 -0.375732D+01  0.368103D+00 -0.132982D+01
      4  -0.191861D+01 -0.286578D+01 -0.164847D+01  0.432258D+01  0.861197D-01
      5  -0.528745D+00 -0.223870D+01  0.703264D+00  0.769243D+00  0.277379D+01
      6  -0.493036D+00 -0.173587D+00  0.333136D+00  0.142323D+01 -0.257987D+00
                16            17            18            19            20 
      1  -0.543010D+01  0.103373D+01  0.904067D+01 -0.316430D+02 -0.591035D+01
      2  -0.742818D+00 -0.488088D+01  0.837802D+01  0.178176D+02  0.520937D+01
      3   0.617292D+01  0.384715D+01 -0.174187D+02  0.138255D+02  0.700977D+00
      4  -0.387802D+01 -0.109035D+01 -0.395107D+01 -0.113165D+02 -0.114953D+02
      5  -0.761465D+00 -0.143256D+01  0.524190D+01  0.590488D+01 -0.477138D-01
      6  -0.455337D+01  0.695164D-01  0.761243D+01  0.254129D+01  0.188765D+01
                21            22            23            24            25 
      1   0.536163D+00 -0.967087D+00  0.862034D+01  0.351218D+00  0.827542D+01
      2  -0.480482D+01  0.188753D+01 -0.136487D+02 -0.158701D+01 -0.558050D+01
      3   0.426865D+01 -0.920446D+00  0.502841D+01  0.123579D+01 -0.269492D+01
      4   0.219003D+01 -0.253267D+01  0.712317D+01 -0.121489D+01  0.443927D+01
      5  -0.128863D+02 -0.631440D+00 -0.130667D+01  0.185112D+01  0.147123D+01
      6   0.810552D+00 -0.121715D+01 -0.300629D+01 -0.666103D+01 -0.139124D+01
                26            27            28            29            30 
      1  -0.136545D+01 -0.717741D+01 -0.244756D+01 -0.148731D+01 -0.847772D+00
      2   0.385422D+00 -0.363213D+01  0.728117D+01  0.312528D+00  0.844176D+00
      3   0.980031D+00  0.108095D+02 -0.483361D+01  0.117479D+01  0.359587D-02
      4   0.431457D+01 -0.662608D+00  0.490817D+01  0.157661D+02 -0.589334D+00
      5  -0.104976D+01  0.707730D+01 -0.342739D+00  0.183554D+00  0.614680D+01
      6   0.145512D+01  0.166734D+01 -0.146369D+01 -0.291676D+00 -0.126847D+01
                31            32            33            34            35 
      1  -0.105066D+01 -0.268349D+02 -0.182477D+01  0.793377D-01  0.216408D+00
      2  -0.178019D+01  0.398956D+02  0.154849D+01  0.607133D+00  0.981584D-01
      3   0.283085D+01 -0.130606D+02  0.276286D+00 -0.686470D+00 -0.314566D+00
      4   0.108415D+02 -0.438100D+00  0.116145D+01 -0.153663D+01 -0.644855D+00
      5   0.495374D+00  0.137904D+01 -0.187178D+01  0.346974D+01  0.128225D+01
      6   0.823567D+00  0.427175D+01  0.144082D+02 -0.251378D+01  0.132573D+02
                36            37            38            39            40 
      1  -0.880117D+01 -0.228255D+01 -0.787983D+00 -0.124313D+02 -0.792449D+01
      2   0.514896D+01  0.450328D+00 -0.198712D+01  0.879245D+01  0.541500D+01
      3   0.365221D+01  0.183223D+01  0.277510D+01  0.363881D+01  0.250950D+01
      4   0.321683D+00 -0.120534D+01  0.628265D+01  0.266699D+01  0.110392D+02
      5   0.210635D+00 -0.169377D+02  0.324595D+01  0.245977D+01  0.325515D+01
      6   0.160572D+01  0.224338D+01 -0.106546D+01 -0.156684D+01 -0.110501D+01
                41            42            43            44            45 
      1   0.713813D+00  0.677804D+00 -0.245367D+02  0.467328D+01 -0.537030D+01
      2   0.724822D+01 -0.153928D+01  0.149719D+02 -0.134298D+01 -0.209154D+01
      3  -0.796203D+01  0.861481D+00  0.956480D+01 -0.333031D+01  0.746184D+01
      4  -0.739070D+01 -0.426600D+01  0.645860D+01 -0.572295D+01 -0.159249D+01
      5  -0.496895D+01 -0.266262D+01  0.187576D+01 -0.333458D+01 -0.110571D+02
      6   0.867298D+00  0.601742D+01  0.839508D+00  0.362393D+01  0.278896D+01
                46            47            48            49            50 
      1  -0.251074D+01  0.738831D+01 -0.861416D+00  0.322084D+01 -0.137649D+02
      2   0.436921D+01 -0.114682D+02 -0.158796D+01 -0.720053D+01  0.280800D+02
      3  -0.185847D+01  0.407992D+01  0.244937D+01  0.397969D+01 -0.143151D+02
      4   0.125846D+02  0.452247D+01  0.377758D+01  0.974803D+01 -0.152346D+02
      5  -0.393185D+01  0.256604D+01 -0.700033D+01  0.140096D+01 -0.854329D+00
      6   0.473942D+01 -0.216645D+01  0.133785D+02 -0.288524D+01 -0.297288D+00
                51            52            53            54            55 
      1   0.115998D+01  0.300044D+00  0.117260D+01 -0.126535D+02  0.667543D+02
      2   0.607148D+00 -0.255496D+01  0.668634D+00  0.102093D+02 -0.400207D+02
      3  -0.176713D+01  0.225492D+01 -0.184124D+01  0.244419D+01 -0.267336D+02
      4  -0.266756D+01  0.484690D+01 -0.258599D+01  0.123145D+02  0.218875D+02
      5  -0.231970D+01 -0.688743D+01  0.241165D+01  0.188794D+01 -0.882482D+01
      6   0.762680D+01  0.155015D+02  0.964840D+01 -0.451458D+01 -0.233481D+01
                56            57            58            59            60 
      1   0.267798D+01 -0.426249D+01  0.220125D+01  0.425646D+01  0.481113D+00
      2   0.219533D+01  0.607561D+01  0.132460D+01  0.242852D+01 -0.143713D+00
      3  -0.487331D+01 -0.181312D+01 -0.352585D+01 -0.668498D+01 -0.337400D+00
      4   0.180416D+02 -0.208164D+01  0.170619D+02  0.631188D+01 -0.229078D+01
      5  -0.547123D+00  0.204889D+02 -0.228914D+00 -0.199299D+01  0.149830D+01
      6  -0.455382D+00  0.378586D+01 -0.149384D+01 -0.989892D+00  0.576956D+01
                61            62            63            64            65 
      1  -0.655528D+01  0.923545D+00  0.813070D+01  0.292294D-01  0.546013D+00
      2   0.688238D+01 -0.559951D+00 -0.105678D+02 -0.427572D+01 -0.501799D+00
      3  -0.327101D+00 -0.363595D+00  0.243713D+01  0.424649D+01 -0.442145D-01
      4  -0.253852D+01 -0.348517D+01  0.534418D+01  0.147869D+01  0.202461D+01
      5   0.196653D+02  0.215262D+01 -0.104084D+02 -0.178102D+01  0.237256D-01
      6   0.643915D+01  0.573488D+01 -0.379332D+01 -0.118597D+01 -0.951780D+00
                66            67            68            69            70 
      1   0.143881D+01 -0.310171D-01 -0.332548D+01  0.702274D+00  0.177611D+01
      2   0.188512D+01  0.661131D+00  0.625600D+00 -0.246339D+01  0.303807D+01
      3  -0.332393D+01 -0.630114D+00  0.269988D+01  0.176112D+01 -0.481417D+01
      4  -0.108098D+01  0.224407D+01  0.649027D+00 -0.337731D+00 -0.122313D+01
      5   0.717434D+01  0.146609D+00 -0.117710D+01 -0.211247D+00  0.489643D+01
      6   0.154178D+01 -0.107155D+01 -0.167728D+01  0.582678D+01  0.194616D+01
                71            72            73            74            75 
      1   0.228820D+01 -0.177701D+02  0.774058D+01  0.439245D+01 -0.142047D+01
      2  -0.135394D+01 -0.157195D+02  0.158668D+01  0.366246D+01  0.309129D-01
      3  -0.934256D+00  0.334897D+02 -0.932726D+01 -0.805491D+01  0.138956D+01
      4   0.780002D+00  0.135484D+01  0.142744D+02  0.165081D+02 -0.160717D+01
      5   0.471357D+00 -0.486556D+01 -0.807827D+00 -0.526908D-01  0.274022D+01
      6   0.508792D+01 -0.105300D+02 -0.561373D+00  0.271421D+00  0.168757D+01
                76            77            78            79            80 
      1   0.415981D+01 -0.569474D+01  0.379954D+00 -0.267756D+01  0.450171D+00
      2   0.579057D+01  0.236307D+02 -0.243487D+01  0.245630D+00 -0.331266D+01
      3  -0.995038D+01 -0.179359D+02  0.205492D+01  0.243193D+01  0.286249D+01
      4   0.189043D+02  0.313629D+02 -0.218213D+01 -0.352527D+01 -0.525454D+01
      5   0.570188D+00 -0.789412D+00  0.361026D+01  0.330038D+01  0.442550D+01
      6   0.811514D+00  0.716164D+00  0.466528D+01  0.242583D+01  0.545604D+01
                81            82            83            84            85 
      1  -0.250133D+01 -0.186156D+01  0.614061D+00  0.478186D+01 -0.157202D+01
      2   0.120854D+01 -0.121749D+01  0.566305D+00 -0.115184D+01  0.201596D+01
      3   0.129278D+01  0.307905D+01 -0.118037D+01 -0.363003D+01 -0.443941D+00
      4   0.511233D+01 -0.942024D-01  0.272424D+01  0.722496D+00  0.279497D+01
      5  -0.307077D+00  0.129068D+01 -0.273695D-02  0.366363D+01 -0.242748D+00
      6  -0.739934D+00  0.898391D+00 -0.103798D+01 -0.193475D+01  0.222242D+00
                86            87            88            89            90 
      1  -0.239477D+01 -0.100101D+01  0.452997D+01 -0.304531D+01 -0.192232D+02
      2   0.667933D+00  0.215194D+01 -0.325955D+01  0.179737D+01 -0.148481D+02
      3   0.172683D+01 -0.115093D+01 -0.127042D+01  0.124795D+01  0.340713D+02
      4   0.213807D+01  0.222592D+01  0.149587D+01  0.251582D+01  0.233797D+01
      5   0.209663D+01 -0.108433D+01  0.594381D+01  0.139847D+01  0.200141D+02
      6   0.134360D+01  0.524345D+01  0.330390D+00  0.538312D+01  0.117218D+02
                91            92            93            94            95 
      1   0.393912D+01  0.906582D+01  0.148470D+01  0.221860D+01  0.126048D+01
      2  -0.389872D+01 -0.107770D+02 -0.665570D+00 -0.396598D+01 -0.374794D-01
      3  -0.404032D-01  0.171118D+01 -0.819135D+00  0.174738D+01 -0.122301D+01
      4  -0.113892D+02 -0.891739D+00  0.126021D+01  0.323989D+00 -0.483613D+01
      5   0.386813D+00  0.510027D+00 -0.134931D+01  0.581444D+00  0.663813D-01
      6   0.201872D+01 -0.991966D+00 -0.322899D+01 -0.279652D+00  0.159602D+00
                96            97            98            99           100 
      1   0.382019D+00  0.114175D+00 -0.482461D+00 -0.114240D+01  0.537565D+01
      2  -0.876456D-02  0.183597D-01  0.427474D+00 -0.157133D+00 -0.267885D+01
      3  -0.373255D+00 -0.132535D+00  0.549868D-01  0.129954D+01 -0.269680D+01
      4  -0.275765D+00  0.174722D+01 -0.341174D-02 -0.125205D+01 -0.883589D+01
      5  -0.187994D+01  0.130775D+01 -0.415559D+00 -0.847353D+00 -0.545308D+01
      6   0.274329D+00 -0.155251D+01  0.237440D+01  0.100380D+01  0.526561D+01
               101           102           103           104           105 
      1  -0.129467D+01 -0.251792D+01 -0.173235D+01 -0.215840D+01  0.413215D+00
      2  -0.109701D+00  0.215696D+01  0.124856D+01  0.321607D+01  0.811245D+00
      3   0.140437D+01  0.360958D+00  0.483786D+00 -0.105767D+01 -0.122446D+01
      4   0.529165D+01  0.532381D+01  0.234173D+01  0.198193D+00 -0.151066D+01
      5   0.145356D+01  0.809680D+01  0.245335D+00 -0.101326D+01 -0.603336D-02
      6  -0.184117D+01 -0.823507D+01 -0.122917D+01 -0.869695D-01  0.147011D+01
               106           107           108           109           110 
      1  -0.374293D+01 -0.265257D+01  0.101879D+01  0.105845D+02 -0.268508D+01
      2   0.408349D+01  0.438480D+01 -0.650857D+01 -0.345469D+01 -0.885079D+00
      3  -0.340559D+00 -0.173223D+01  0.548978D+01 -0.712985D+01  0.357016D+01
      4   0.764314D+01 -0.337312D+01 -0.760793D+01 -0.189779D+02  0.104039D+02
      5   0.779789D+01 -0.197577D+01 -0.120928D+02  0.104953D+02 -0.409593D+01
      6  -0.877883D+01  0.268673D+01  0.156690D+02 -0.984580D+01  0.459907D+01
               111           112           113           114           115 
      1   0.412473D+01 -0.230241D+01 -0.268176D+01 -0.926686D+00  0.376515D+01
      2  -0.192811D+01 -0.276096D+00  0.527738D+01 -0.854957D+00 -0.275159D+01
      3  -0.219662D+01  0.257851D+01 -0.259561D+01  0.178164D+01 -0.101356D+01
      4  -0.900063D+01  0.752745D+01 -0.276292D+01  0.389062D+01 -0.116522D+02
      5   0.967839D+01 -0.193501D+01  0.198425D+01 -0.113355D+01  0.103316D+02
      6  -0.912307D+01  0.409386D+01 -0.138321D+01  0.423744D+01 -0.108397D+02
               116           117           118           119           120 
      1   0.101088D+01  0.175647D+01  0.429403D+02 -0.858421D+01  0.107278D+02
      2  -0.248912D+01 -0.405809D+01 -0.239424D+02  0.434018D+01 -0.607593D+01
      3   0.147825D+01  0.230162D+01 -0.189979D+02  0.424402D+01 -0.465187D+01
      4   0.500826D+01 -0.967336D+01 -0.945975D+01  0.653286D+01 -0.272860D+01
      5  -0.371677D+01  0.966243D+01  0.137866D+02 -0.284261D+01  0.930094D+01
      6   0.538591D+01 -0.110718D+02 -0.315254D+01  0.126040D+01 -0.112281D+01
               121           122           123           124           125 
      1  -0.511209D+01  0.415090D+01 -0.130157D+01  0.186854D+02 -0.410190D+01
      2   0.238814D+01 -0.128616D+01  0.339235D+00 -0.119030D+02  0.266797D+01
      3   0.272396D+01 -0.286474D+01  0.962333D+00 -0.678245D+01  0.143393D+01
      4   0.756012D+01 -0.353606D+01  0.259517D+01 -0.483085D+01  0.363231D+01
      5  -0.184378D+01  0.264569D+01 -0.112471D+01  0.135136D+02 -0.264603D+01
      6   0.158317D+01 -0.821964D+00  0.170578D+01 -0.242916D+01  0.171758D+01
               126 
      1   0.899835D+01
      2  -0.687053D+01
      3  -0.212783D+01
      4  -0.251513D+01
      5   0.843578D+01
      6  -0.165784D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.154871D+01      0.393643D+01      0.131305D+02
   y          0.643250D+00      0.163498D+01      0.545370D+01
   z          0.130228D+00      0.331007D+00      0.110412D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.632193D+02      0.936814D+01      0.104235D+02
   yx        -0.258434D+01     -0.382959D+00     -0.426099D+00
   yy         0.562968D+02      0.834233D+01      0.928209D+01
   zx        -0.722744D+00     -0.107100D+00     -0.119164D+00
   zy         0.651251D+00      0.965054D-01      0.107377D+00
   zz         0.440969D+02      0.653448D+01      0.727059D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.599700D+02      0.888663D+01      0.988771D+01
   aniso      0.179900D+02      0.266584D+01      0.296615D+01
   xx         0.683778D+02      0.101325D+02      0.112740D+02
   yx        -0.192979D+01     -0.285965D+00     -0.318179D+00
   yy         0.628076D+02      0.930712D+01      0.103556D+02
   zx        -0.109642D+01     -0.162473D+00     -0.180776D+00
   zy         0.592465D+00      0.877942D-01      0.976842D-01
   zz         0.487245D+02      0.722022D+01      0.803358D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54354721          0.10789743          2.81323632
     6          0.20027468          1.35873309          0.31343411
     6          0.08798134         -0.48685048         -1.94270076
     8          1.23434714         -2.72438941         -1.60337706
     8          1.27950892         -1.82280845          3.38001315
     7         -1.32574102          3.60760059         -0.04667247
     8         -0.92916588          0.03841745         -3.90150443
     1          2.17943380          1.92969780          0.51026694
     1         -0.54471018          1.55745160          4.27791968
     1         -2.44299371         -0.70225701          2.67219370
     1          1.73880016         -2.88813589          0.16930590
     1         -2.99679917          3.12300562         -0.85395043
     1         -0.47934174          4.76969363         -1.30899538
     1          0.68001989         -2.85109160          4.75510032

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168203D+01      0.427530D+01      0.142609D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.473045D+02      0.700980D+01      0.779945D+01
   yx        -0.612553D+01     -0.907710D+00     -0.100996D+01
   yy         0.561007D+02      0.831326D+01      0.924975D+01
   zx         0.315031D+01      0.466828D+00      0.519416D+00
   zy        -0.323421D+01     -0.479260D+00     -0.533249D+00
   zz         0.602079D+02      0.892189D+01      0.992694D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.599700D+02      0.888663D+01      0.988771D+01
   aniso      0.179900D+02      0.266584D+01      0.296615D+01
   xx         0.521774D+02      0.773190D+01      0.860290D+01
   yx        -0.654646D+01     -0.970086D+00     -0.107937D+01
   yy         0.617673D+02      0.915297D+01      0.101841D+02
   zx         0.320836D+01      0.475429D+00      0.528986D+00
   zy        -0.218679D+01     -0.324049D+00     -0.360553D+00
   zz         0.659651D+02      0.977503D+01      0.108762D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-05\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.29073,0.712663,
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 IF OTHER PEOPLE ARE GOING TO TALK, CONVERSATION IS SIMPLY IMPOSSIBLE.

                                               -- WHISTLER'S PRINCIPLE
 Job cpu time:       0 days  2 hours 36 minutes 27.6 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 36.6 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:13:28 2021.
